Record Information |
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Version | 5.0 |
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Status | Detected but not Quantified |
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Creation Date | 2021-09-11 14:25:08 UTC |
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Update Date | 2021-09-26 23:09:23 UTC |
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HMDB ID | HMDB0254935 |
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Secondary Accession Numbers | None |
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Metabolite Identification |
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Common Name | 6,6'-Methylenebis(2,2-dimethyl-4-methanesulfonic acid-1,2-dihydroquinoline) |
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Description | 6,6'-Methylenebis(2,2-dimethyl-4-methanesulfonic acid-1,2-dihydroquinoline), also known as MTDQ-DA, belongs to the class of organic compounds known as hydroquinolones. Hydroquinolones are compounds containing a hydrogenated quinoline bearing a ketone group. Based on a literature review very few articles have been published on 6,6'-Methylenebis(2,2-dimethyl-4-methanesulfonic acid-1,2-dihydroquinoline). This compound has been identified in human blood as reported by (PMID: 31557052 ). 6,6'-methylenebis(2,2-dimethyl-4-methanesulfonic acid-1,2-dihydroquinoline) is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically 6,6'-Methylenebis(2,2-dimethyl-4-methanesulfonic acid-1,2-dihydroquinoline) is part of the human exposome. The exposome can be defined as the collection of all the exposures of an individual in a lifetime and how those exposures relate to health. An individual's exposure begins before birth and includes insults from environmental and occupational sources. |
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Structure | CC1(C)NC2=C(C=C(CC3=CC4=C(NC(C)(C)C=C4CS(O)(=O)=O)C=C3)C=C2)C(CS(O)(=O)=O)=C1 InChI=1S/C25H30N2O6S2/c1-24(2)12-18(14-34(28,29)30)20-10-16(5-7-22(20)26-24)9-17-6-8-23-21(11-17)19(15-35(31,32)33)13-25(3,4)27-23/h5-8,10-13,26-27H,9,14-15H2,1-4H3,(H,28,29,30)(H,31,32,33) |
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Synonyms | Value | Source |
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6,6'-Methylenebis(2,2-dimethyl-4-methanesulfonate-1,2-dihydroquinoline) | Generator | 6,6'-Methylenebis(2,2-dimethyl-4-methanesulphonate-1,2-dihydroquinoline) | Generator | 6,6'-Methylenebis(2,2-dimethyl-4-methanesulphonic acid-1,2-dihydroquinoline) | Generator | 6,6'-Methylenebis(2,2-dimethyl-4-methanesulfonic acid-1,2-dihydroquinoline), di-na salt | MeSH | MTDQ-DA | MeSH | MTDQ-DS | MeSH |
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Chemical Formula | C25H30N2O6S2 |
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Average Molecular Weight | 518.64 |
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Monoisotopic Molecular Weight | 518.154529042 |
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IUPAC Name | (6-{[2,2-dimethyl-4-(sulfomethyl)-1,2-dihydroquinolin-6-yl]methyl}-2,2-dimethyl-1,2-dihydroquinolin-4-yl)methanesulfonic acid |
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Traditional Name | (6-{[2,2-dimethyl-4-(sulfomethyl)-1H-quinolin-6-yl]methyl}-2,2-dimethyl-1H-quinolin-4-yl)methanesulfonic acid |
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CAS Registry Number | Not Available |
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SMILES | CC1(C)NC2=C(C=C(CC3=CC4=C(NC(C)(C)C=C4CS(O)(=O)=O)C=C3)C=C2)C(CS(O)(=O)=O)=C1 |
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InChI Identifier | InChI=1S/C25H30N2O6S2/c1-24(2)12-18(14-34(28,29)30)20-10-16(5-7-22(20)26-24)9-17-6-8-23-21(11-17)19(15-35(31,32)33)13-25(3,4)27-23/h5-8,10-13,26-27H,9,14-15H2,1-4H3,(H,28,29,30)(H,31,32,33) |
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InChI Key | QGIHIJVOMXWTKE-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as hydroquinolones. Hydroquinolones are compounds containing a hydrogenated quinoline bearing a ketone group. |
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Kingdom | Organic compounds |
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Super Class | Organoheterocyclic compounds |
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Class | Quinolines and derivatives |
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Sub Class | Quinolones and derivatives |
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Direct Parent | Hydroquinolones |
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Alternative Parents | |
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Substituents | - Dihydroquinolone
- Dihydroquinoline
- Secondary aliphatic/aromatic amine
- Benzenoid
- Organic sulfonic acid or derivatives
- Alkanesulfonic acid
- Sulfonyl
- Organosulfonic acid
- Organosulfonic acid or derivatives
- Secondary amine
- Azacycle
- Amine
- Hydrocarbon derivative
- Organic oxide
- Organopnictogen compound
- Organosulfur compound
- Organonitrogen compound
- Organic oxygen compound
- Organic nitrogen compound
- Aromatic heteropolycyclic compound
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Molecular Framework | Aromatic heteropolycyclic compounds |
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External Descriptors | Not Available |
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Ontology |
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Not Available | Not Available |
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Physical Properties |
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State | Not Available |
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Experimental Molecular Properties | Property | Value | Reference |
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Melting Point | Not Available | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | Not Available | Not Available | LogP | Not Available | Not Available |
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Experimental Chromatographic Properties | Not Available |
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Predicted Molecular Properties | |
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Predicted Chromatographic Properties | Predicted Collision Cross SectionsPredicted Kovats Retention IndicesUnderivatizedDerivatizedDerivative Name / Structure | SMILES | Kovats RI Value | Column Type | Reference |
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6,6'-Methylenebis(2,2-dimethyl-4-methanesulfonic acid-1,2-dihydroquinoline),1TMS,isomer #1 | CC1(C)C=C(CS(=O)(=O)O)C2=CC(CC3=CC=C4NC(C)(C)C=C(CS(=O)(=O)O[Si](C)(C)C)C4=C3)=CC=C2N1 | 4416.2 | Semi standard non polar | 33892256 | 6,6'-Methylenebis(2,2-dimethyl-4-methanesulfonic acid-1,2-dihydroquinoline),1TMS,isomer #1 | CC1(C)C=C(CS(=O)(=O)O)C2=CC(CC3=CC=C4NC(C)(C)C=C(CS(=O)(=O)O[Si](C)(C)C)C4=C3)=CC=C2N1 | 4463.2 | Standard non polar | 33892256 | 6,6'-Methylenebis(2,2-dimethyl-4-methanesulfonic acid-1,2-dihydroquinoline),1TMS,isomer #1 | CC1(C)C=C(CS(=O)(=O)O)C2=CC(CC3=CC=C4NC(C)(C)C=C(CS(=O)(=O)O[Si](C)(C)C)C4=C3)=CC=C2N1 | 6156.3 | Standard polar | 33892256 | 6,6'-Methylenebis(2,2-dimethyl-4-methanesulfonic acid-1,2-dihydroquinoline),1TMS,isomer #2 | CC1(C)C=C(CS(=O)(=O)O)C2=CC(CC3=CC=C4C(=C3)C(CS(=O)(=O)O)=CC(C)(C)N4[Si](C)(C)C)=CC=C2N1 | 4373.6 | Semi standard non polar | 33892256 | 6,6'-Methylenebis(2,2-dimethyl-4-methanesulfonic acid-1,2-dihydroquinoline),1TMS,isomer #2 | CC1(C)C=C(CS(=O)(=O)O)C2=CC(CC3=CC=C4C(=C3)C(CS(=O)(=O)O)=CC(C)(C)N4[Si](C)(C)C)=CC=C2N1 | 4495.1 | Standard non polar | 33892256 | 6,6'-Methylenebis(2,2-dimethyl-4-methanesulfonic acid-1,2-dihydroquinoline),1TMS,isomer #2 | CC1(C)C=C(CS(=O)(=O)O)C2=CC(CC3=CC=C4C(=C3)C(CS(=O)(=O)O)=CC(C)(C)N4[Si](C)(C)C)=CC=C2N1 | 6140.2 | Standard polar | 33892256 | 6,6'-Methylenebis(2,2-dimethyl-4-methanesulfonic acid-1,2-dihydroquinoline),2TMS,isomer #1 | CC1(C)C=C(CS(=O)(=O)O[Si](C)(C)C)C2=CC(CC3=CC=C4NC(C)(C)C=C(CS(=O)(=O)O[Si](C)(C)C)C4=C3)=CC=C2N1 | 4369.6 | Semi standard non polar | 33892256 | 6,6'-Methylenebis(2,2-dimethyl-4-methanesulfonic acid-1,2-dihydroquinoline),2TMS,isomer #1 | CC1(C)C=C(CS(=O)(=O)O[Si](C)(C)C)C2=CC(CC3=CC=C4NC(C)(C)C=C(CS(=O)(=O)O[Si](C)(C)C)C4=C3)=CC=C2N1 | 4586.8 | Standard non polar | 33892256 | 6,6'-Methylenebis(2,2-dimethyl-4-methanesulfonic acid-1,2-dihydroquinoline),2TMS,isomer #1 | CC1(C)C=C(CS(=O)(=O)O[Si](C)(C)C)C2=CC(CC3=CC=C4NC(C)(C)C=C(CS(=O)(=O)O[Si](C)(C)C)C4=C3)=CC=C2N1 | 5874.2 | Standard polar | 33892256 | 6,6'-Methylenebis(2,2-dimethyl-4-methanesulfonic acid-1,2-dihydroquinoline),2TMS,isomer #2 | CC1(C)C=C(CS(=O)(=O)O)C2=CC(CC3=CC=C4C(=C3)C(CS(=O)(=O)O[Si](C)(C)C)=CC(C)(C)N4[Si](C)(C)C)=CC=C2N1 | 4325.8 | Semi standard non polar | 33892256 | 6,6'-Methylenebis(2,2-dimethyl-4-methanesulfonic acid-1,2-dihydroquinoline),2TMS,isomer #2 | CC1(C)C=C(CS(=O)(=O)O)C2=CC(CC3=CC=C4C(=C3)C(CS(=O)(=O)O[Si](C)(C)C)=CC(C)(C)N4[Si](C)(C)C)=CC=C2N1 | 4634.7 | Standard non polar | 33892256 | 6,6'-Methylenebis(2,2-dimethyl-4-methanesulfonic acid-1,2-dihydroquinoline),2TMS,isomer #2 | CC1(C)C=C(CS(=O)(=O)O)C2=CC(CC3=CC=C4C(=C3)C(CS(=O)(=O)O[Si](C)(C)C)=CC(C)(C)N4[Si](C)(C)C)=CC=C2N1 | 5835.5 | Standard polar | 33892256 | 6,6'-Methylenebis(2,2-dimethyl-4-methanesulfonic acid-1,2-dihydroquinoline),2TMS,isomer #3 | CC1(C)C=C(CS(=O)(=O)O[Si](C)(C)C)C2=CC(CC3=CC=C4C(=C3)C(CS(=O)(=O)O)=CC(C)(C)N4[Si](C)(C)C)=CC=C2N1 | 4328.7 | Semi standard non polar | 33892256 | 6,6'-Methylenebis(2,2-dimethyl-4-methanesulfonic acid-1,2-dihydroquinoline),2TMS,isomer #3 | CC1(C)C=C(CS(=O)(=O)O[Si](C)(C)C)C2=CC(CC3=CC=C4C(=C3)C(CS(=O)(=O)O)=CC(C)(C)N4[Si](C)(C)C)=CC=C2N1 | 4634.4 | Standard non polar | 33892256 | 6,6'-Methylenebis(2,2-dimethyl-4-methanesulfonic acid-1,2-dihydroquinoline),2TMS,isomer #3 | CC1(C)C=C(CS(=O)(=O)O[Si](C)(C)C)C2=CC(CC3=CC=C4C(=C3)C(CS(=O)(=O)O)=CC(C)(C)N4[Si](C)(C)C)=CC=C2N1 | 5834.3 | Standard polar | 33892256 | 6,6'-Methylenebis(2,2-dimethyl-4-methanesulfonic acid-1,2-dihydroquinoline),2TMS,isomer #4 | CC1(C)C=C(CS(=O)(=O)O)C2=CC(CC3=CC=C4C(=C3)C(CS(=O)(=O)O)=CC(C)(C)N4[Si](C)(C)C)=CC=C2N1[Si](C)(C)C | 4276.3 | Semi standard non polar | 33892256 | 6,6'-Methylenebis(2,2-dimethyl-4-methanesulfonic acid-1,2-dihydroquinoline),2TMS,isomer #4 | CC1(C)C=C(CS(=O)(=O)O)C2=CC(CC3=CC=C4C(=C3)C(CS(=O)(=O)O)=CC(C)(C)N4[Si](C)(C)C)=CC=C2N1[Si](C)(C)C | 4678.6 | Standard non polar | 33892256 | 6,6'-Methylenebis(2,2-dimethyl-4-methanesulfonic acid-1,2-dihydroquinoline),2TMS,isomer #4 | CC1(C)C=C(CS(=O)(=O)O)C2=CC(CC3=CC=C4C(=C3)C(CS(=O)(=O)O)=CC(C)(C)N4[Si](C)(C)C)=CC=C2N1[Si](C)(C)C | 5766.6 | Standard polar | 33892256 | 6,6'-Methylenebis(2,2-dimethyl-4-methanesulfonic acid-1,2-dihydroquinoline),3TMS,isomer #1 | CC1(C)C=C(CS(=O)(=O)O[Si](C)(C)C)C2=CC(CC3=CC=C4C(=C3)C(CS(=O)(=O)O[Si](C)(C)C)=CC(C)(C)N4[Si](C)(C)C)=CC=C2N1 | 4284.9 | Semi standard non polar | 33892256 | 6,6'-Methylenebis(2,2-dimethyl-4-methanesulfonic acid-1,2-dihydroquinoline),3TMS,isomer #1 | CC1(C)C=C(CS(=O)(=O)O[Si](C)(C)C)C2=CC(CC3=CC=C4C(=C3)C(CS(=O)(=O)O[Si](C)(C)C)=CC(C)(C)N4[Si](C)(C)C)=CC=C2N1 | 4748.9 | Standard non polar | 33892256 | 6,6'-Methylenebis(2,2-dimethyl-4-methanesulfonic acid-1,2-dihydroquinoline),3TMS,isomer #1 | CC1(C)C=C(CS(=O)(=O)O[Si](C)(C)C)C2=CC(CC3=CC=C4C(=C3)C(CS(=O)(=O)O[Si](C)(C)C)=CC(C)(C)N4[Si](C)(C)C)=CC=C2N1 | 5567.8 | Standard polar | 33892256 | 6,6'-Methylenebis(2,2-dimethyl-4-methanesulfonic acid-1,2-dihydroquinoline),3TMS,isomer #2 | CC1(C)C=C(CS(=O)(=O)O)C2=CC(CC3=CC=C4C(=C3)C(CS(=O)(=O)O[Si](C)(C)C)=CC(C)(C)N4[Si](C)(C)C)=CC=C2N1[Si](C)(C)C | 4261.2 | Semi standard non polar | 33892256 | 6,6'-Methylenebis(2,2-dimethyl-4-methanesulfonic acid-1,2-dihydroquinoline),3TMS,isomer #2 | CC1(C)C=C(CS(=O)(=O)O)C2=CC(CC3=CC=C4C(=C3)C(CS(=O)(=O)O[Si](C)(C)C)=CC(C)(C)N4[Si](C)(C)C)=CC=C2N1[Si](C)(C)C | 4801.1 | Standard non polar | 33892256 | 6,6'-Methylenebis(2,2-dimethyl-4-methanesulfonic acid-1,2-dihydroquinoline),3TMS,isomer #2 | CC1(C)C=C(CS(=O)(=O)O)C2=CC(CC3=CC=C4C(=C3)C(CS(=O)(=O)O[Si](C)(C)C)=CC(C)(C)N4[Si](C)(C)C)=CC=C2N1[Si](C)(C)C | 5491.0 | Standard polar | 33892256 | 6,6'-Methylenebis(2,2-dimethyl-4-methanesulfonic acid-1,2-dihydroquinoline),4TMS,isomer #1 | CC1(C)C=C(CS(=O)(=O)O[Si](C)(C)C)C2=CC(CC3=CC=C4C(=C3)C(CS(=O)(=O)O[Si](C)(C)C)=CC(C)(C)N4[Si](C)(C)C)=CC=C2N1[Si](C)(C)C | 4258.4 | Semi standard non polar | 33892256 | 6,6'-Methylenebis(2,2-dimethyl-4-methanesulfonic acid-1,2-dihydroquinoline),4TMS,isomer #1 | CC1(C)C=C(CS(=O)(=O)O[Si](C)(C)C)C2=CC(CC3=CC=C4C(=C3)C(CS(=O)(=O)O[Si](C)(C)C)=CC(C)(C)N4[Si](C)(C)C)=CC=C2N1[Si](C)(C)C | 4912.3 | Standard non polar | 33892256 | 6,6'-Methylenebis(2,2-dimethyl-4-methanesulfonic acid-1,2-dihydroquinoline),4TMS,isomer #1 | CC1(C)C=C(CS(=O)(=O)O[Si](C)(C)C)C2=CC(CC3=CC=C4C(=C3)C(CS(=O)(=O)O[Si](C)(C)C)=CC(C)(C)N4[Si](C)(C)C)=CC=C2N1[Si](C)(C)C | 5251.7 | Standard polar | 33892256 | 6,6'-Methylenebis(2,2-dimethyl-4-methanesulfonic acid-1,2-dihydroquinoline),1TBDMS,isomer #1 | CC1(C)C=C(CS(=O)(=O)O)C2=CC(CC3=CC=C4NC(C)(C)C=C(CS(=O)(=O)O[Si](C)(C)C(C)(C)C)C4=C3)=CC=C2N1 | 4620.9 | Semi standard non polar | 33892256 | 6,6'-Methylenebis(2,2-dimethyl-4-methanesulfonic acid-1,2-dihydroquinoline),1TBDMS,isomer #1 | CC1(C)C=C(CS(=O)(=O)O)C2=CC(CC3=CC=C4NC(C)(C)C=C(CS(=O)(=O)O[Si](C)(C)C(C)(C)C)C4=C3)=CC=C2N1 | 4714.2 | Standard non polar | 33892256 | 6,6'-Methylenebis(2,2-dimethyl-4-methanesulfonic acid-1,2-dihydroquinoline),1TBDMS,isomer #1 | CC1(C)C=C(CS(=O)(=O)O)C2=CC(CC3=CC=C4NC(C)(C)C=C(CS(=O)(=O)O[Si](C)(C)C(C)(C)C)C4=C3)=CC=C2N1 | 6191.7 | Standard polar | 33892256 | 6,6'-Methylenebis(2,2-dimethyl-4-methanesulfonic acid-1,2-dihydroquinoline),1TBDMS,isomer #2 | CC1(C)C=C(CS(=O)(=O)O)C2=CC(CC3=CC=C4C(=C3)C(CS(=O)(=O)O)=CC(C)(C)N4[Si](C)(C)C(C)(C)C)=CC=C2N1 | 4580.6 | Semi standard non polar | 33892256 | 6,6'-Methylenebis(2,2-dimethyl-4-methanesulfonic acid-1,2-dihydroquinoline),1TBDMS,isomer #2 | CC1(C)C=C(CS(=O)(=O)O)C2=CC(CC3=CC=C4C(=C3)C(CS(=O)(=O)O)=CC(C)(C)N4[Si](C)(C)C(C)(C)C)=CC=C2N1 | 4755.9 | Standard non polar | 33892256 | 6,6'-Methylenebis(2,2-dimethyl-4-methanesulfonic acid-1,2-dihydroquinoline),1TBDMS,isomer #2 | CC1(C)C=C(CS(=O)(=O)O)C2=CC(CC3=CC=C4C(=C3)C(CS(=O)(=O)O)=CC(C)(C)N4[Si](C)(C)C(C)(C)C)=CC=C2N1 | 6161.3 | Standard polar | 33892256 | 6,6'-Methylenebis(2,2-dimethyl-4-methanesulfonic acid-1,2-dihydroquinoline),2TBDMS,isomer #1 | CC1(C)C=C(CS(=O)(=O)O[Si](C)(C)C(C)(C)C)C2=CC(CC3=CC=C4NC(C)(C)C=C(CS(=O)(=O)O[Si](C)(C)C(C)(C)C)C4=C3)=CC=C2N1 | 4769.0 | Semi standard non polar | 33892256 | 6,6'-Methylenebis(2,2-dimethyl-4-methanesulfonic acid-1,2-dihydroquinoline),2TBDMS,isomer #1 | CC1(C)C=C(CS(=O)(=O)O[Si](C)(C)C(C)(C)C)C2=CC(CC3=CC=C4NC(C)(C)C=C(CS(=O)(=O)O[Si](C)(C)C(C)(C)C)C4=C3)=CC=C2N1 | 5082.9 | Standard non polar | 33892256 | 6,6'-Methylenebis(2,2-dimethyl-4-methanesulfonic acid-1,2-dihydroquinoline),2TBDMS,isomer #1 | CC1(C)C=C(CS(=O)(=O)O[Si](C)(C)C(C)(C)C)C2=CC(CC3=CC=C4NC(C)(C)C=C(CS(=O)(=O)O[Si](C)(C)C(C)(C)C)C4=C3)=CC=C2N1 | 5913.6 | Standard polar | 33892256 | 6,6'-Methylenebis(2,2-dimethyl-4-methanesulfonic acid-1,2-dihydroquinoline),2TBDMS,isomer #2 | CC1(C)C=C(CS(=O)(=O)O)C2=CC(CC3=CC=C4C(=C3)C(CS(=O)(=O)O[Si](C)(C)C(C)(C)C)=CC(C)(C)N4[Si](C)(C)C(C)(C)C)=CC=C2N1 | 4730.8 | Semi standard non polar | 33892256 | 6,6'-Methylenebis(2,2-dimethyl-4-methanesulfonic acid-1,2-dihydroquinoline),2TBDMS,isomer #2 | CC1(C)C=C(CS(=O)(=O)O)C2=CC(CC3=CC=C4C(=C3)C(CS(=O)(=O)O[Si](C)(C)C(C)(C)C)=CC(C)(C)N4[Si](C)(C)C(C)(C)C)=CC=C2N1 | 5121.3 | Standard non polar | 33892256 | 6,6'-Methylenebis(2,2-dimethyl-4-methanesulfonic acid-1,2-dihydroquinoline),2TBDMS,isomer #2 | CC1(C)C=C(CS(=O)(=O)O)C2=CC(CC3=CC=C4C(=C3)C(CS(=O)(=O)O[Si](C)(C)C(C)(C)C)=CC(C)(C)N4[Si](C)(C)C(C)(C)C)=CC=C2N1 | 5852.2 | Standard polar | 33892256 | 6,6'-Methylenebis(2,2-dimethyl-4-methanesulfonic acid-1,2-dihydroquinoline),2TBDMS,isomer #3 | CC1(C)C=C(CS(=O)(=O)O[Si](C)(C)C(C)(C)C)C2=CC(CC3=CC=C4C(=C3)C(CS(=O)(=O)O)=CC(C)(C)N4[Si](C)(C)C(C)(C)C)=CC=C2N1 | 4730.2 | Semi standard non polar | 33892256 | 6,6'-Methylenebis(2,2-dimethyl-4-methanesulfonic acid-1,2-dihydroquinoline),2TBDMS,isomer #3 | CC1(C)C=C(CS(=O)(=O)O[Si](C)(C)C(C)(C)C)C2=CC(CC3=CC=C4C(=C3)C(CS(=O)(=O)O)=CC(C)(C)N4[Si](C)(C)C(C)(C)C)=CC=C2N1 | 5121.7 | Standard non polar | 33892256 | 6,6'-Methylenebis(2,2-dimethyl-4-methanesulfonic acid-1,2-dihydroquinoline),2TBDMS,isomer #3 | CC1(C)C=C(CS(=O)(=O)O[Si](C)(C)C(C)(C)C)C2=CC(CC3=CC=C4C(=C3)C(CS(=O)(=O)O)=CC(C)(C)N4[Si](C)(C)C(C)(C)C)=CC=C2N1 | 5851.1 | Standard polar | 33892256 | 6,6'-Methylenebis(2,2-dimethyl-4-methanesulfonic acid-1,2-dihydroquinoline),2TBDMS,isomer #4 | CC1(C)C=C(CS(=O)(=O)O)C2=CC(CC3=CC=C4C(=C3)C(CS(=O)(=O)O)=CC(C)(C)N4[Si](C)(C)C(C)(C)C)=CC=C2N1[Si](C)(C)C(C)(C)C | 4714.2 | Semi standard non polar | 33892256 | 6,6'-Methylenebis(2,2-dimethyl-4-methanesulfonic acid-1,2-dihydroquinoline),2TBDMS,isomer #4 | CC1(C)C=C(CS(=O)(=O)O)C2=CC(CC3=CC=C4C(=C3)C(CS(=O)(=O)O)=CC(C)(C)N4[Si](C)(C)C(C)(C)C)=CC=C2N1[Si](C)(C)C(C)(C)C | 5174.8 | Standard non polar | 33892256 | 6,6'-Methylenebis(2,2-dimethyl-4-methanesulfonic acid-1,2-dihydroquinoline),2TBDMS,isomer #4 | CC1(C)C=C(CS(=O)(=O)O)C2=CC(CC3=CC=C4C(=C3)C(CS(=O)(=O)O)=CC(C)(C)N4[Si](C)(C)C(C)(C)C)=CC=C2N1[Si](C)(C)C(C)(C)C | 5764.4 | Standard polar | 33892256 | 6,6'-Methylenebis(2,2-dimethyl-4-methanesulfonic acid-1,2-dihydroquinoline),3TBDMS,isomer #1 | CC1(C)C=C(CS(=O)(=O)O[Si](C)(C)C(C)(C)C)C2=CC(CC3=CC=C4C(=C3)C(CS(=O)(=O)O[Si](C)(C)C(C)(C)C)=CC(C)(C)N4[Si](C)(C)C(C)(C)C)=CC=C2N1 | 4852.8 | Semi standard non polar | 33892256 | 6,6'-Methylenebis(2,2-dimethyl-4-methanesulfonic acid-1,2-dihydroquinoline),3TBDMS,isomer #1 | CC1(C)C=C(CS(=O)(=O)O[Si](C)(C)C(C)(C)C)C2=CC(CC3=CC=C4C(=C3)C(CS(=O)(=O)O[Si](C)(C)C(C)(C)C)=CC(C)(C)N4[Si](C)(C)C(C)(C)C)=CC=C2N1 | 5477.7 | Standard non polar | 33892256 | 6,6'-Methylenebis(2,2-dimethyl-4-methanesulfonic acid-1,2-dihydroquinoline),3TBDMS,isomer #1 | CC1(C)C=C(CS(=O)(=O)O[Si](C)(C)C(C)(C)C)C2=CC(CC3=CC=C4C(=C3)C(CS(=O)(=O)O[Si](C)(C)C(C)(C)C)=CC(C)(C)N4[Si](C)(C)C(C)(C)C)=CC=C2N1 | 5586.1 | Standard polar | 33892256 | 6,6'-Methylenebis(2,2-dimethyl-4-methanesulfonic acid-1,2-dihydroquinoline),3TBDMS,isomer #2 | CC1(C)C=C(CS(=O)(=O)O)C2=CC(CC3=CC=C4C(=C3)C(CS(=O)(=O)O[Si](C)(C)C(C)(C)C)=CC(C)(C)N4[Si](C)(C)C(C)(C)C)=CC=C2N1[Si](C)(C)C(C)(C)C | 4854.5 | Semi standard non polar | 33892256 | 6,6'-Methylenebis(2,2-dimethyl-4-methanesulfonic acid-1,2-dihydroquinoline),3TBDMS,isomer #2 | CC1(C)C=C(CS(=O)(=O)O)C2=CC(CC3=CC=C4C(=C3)C(CS(=O)(=O)O[Si](C)(C)C(C)(C)C)=CC(C)(C)N4[Si](C)(C)C(C)(C)C)=CC=C2N1[Si](C)(C)C(C)(C)C | 5526.1 | Standard non polar | 33892256 | 6,6'-Methylenebis(2,2-dimethyl-4-methanesulfonic acid-1,2-dihydroquinoline),3TBDMS,isomer #2 | CC1(C)C=C(CS(=O)(=O)O)C2=CC(CC3=CC=C4C(=C3)C(CS(=O)(=O)O[Si](C)(C)C(C)(C)C)=CC(C)(C)N4[Si](C)(C)C(C)(C)C)=CC=C2N1[Si](C)(C)C(C)(C)C | 5481.0 | Standard polar | 33892256 |
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