HMDB0037802 RDKit 3D 2-[4,6-Bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-(octyloxy)phenol 77 80 0 0 0 0 0 0 0 0999 V2000 11.9730 -1.5932 -0.9051 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4937 -1.5284 -1.1007 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9816 -0.1032 -1.0212 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4797 -0.0751 -1.2206 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9332 1.3211 -1.1543 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4468 1.4015 -1.3396 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6951 0.6250 -0.2726 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2126 0.7836 -0.5506 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4277 0.1173 0.3887 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0677 0.0634 0.4269 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2789 0.6894 -0.5103 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0973 0.6312 -0.4606 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7711 -0.0612 0.5362 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2358 -0.0953 0.5526 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8736 0.5040 -0.4910 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2057 0.5682 -0.5800 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9638 1.1731 -1.6607 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3526 1.2124 -1.5948 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1112 1.7682 -2.6069 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5042 2.3061 -3.7247 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3419 2.9096 -4.8215 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1377 2.2725 -3.7995 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3698 1.7022 -2.7604 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8859 1.7087 -2.9144 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8813 0.0005 0.4326 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3266 -0.6179 1.5113 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1938 -1.1549 2.5390 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5710 -0.9178 2.4428 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4488 -1.4032 3.3906 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0086 -2.1371 4.4656 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9734 -2.6621 5.4995 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6598 -2.3762 4.5710 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7736 -1.8775 3.5985 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3350 -2.1954 3.7664 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9859 -0.6358 1.5167 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0156 -0.6830 1.4662 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5588 -1.3972 2.4962 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4111 -0.6251 1.4169 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4945 -0.8725 -1.5847 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2343 -1.2436 0.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3717 -2.5876 -1.1311 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9727 -2.1611 -0.3615 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2554 -1.9670 -2.1047 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4476 0.5160 -1.8083 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2791 0.3420 -0.0514 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2767 -0.4696 -2.2315 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0181 -0.6758 -0.4345 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1959 1.8313 -0.1949 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3841 1.9651 -1.9456 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2073 1.0294 -2.3543 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1584 2.4662 -1.2413 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9665 0.9554 0.7417 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0041 -0.4354 -0.3473 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0191 0.3465 -1.5503 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9493 1.8711 -0.6393 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7868 1.2409 -1.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7100 1.1329 -1.2085 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8022 0.7836 -0.7052 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1913 1.8010 -2.5569 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4521 2.2249 -5.6664 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3670 3.1244 -4.4459 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9128 3.8827 -5.1542 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6766 2.6955 -4.6777 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4460 0.7108 -2.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6276 2.1156 -3.9132 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4445 2.4242 -2.1636 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9002 -0.3389 1.5908 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5114 -1.2165 3.3115 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7383 -1.8906 5.7261 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5036 -3.5570 5.1637 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4491 -2.8734 6.4403 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2832 -2.9486 5.4045 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7720 -1.2994 4.0397 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1809 -2.9223 4.6181 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9046 -2.6193 2.8343 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0119 -1.8719 3.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0142 -1.1276 2.1667 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 20 22 1 0 22 23 2 0 23 24 1 0 16 25 2 0 25 26 1 0 26 27 1 0 27 28 2 0 28 29 1 0 29 30 2 0 30 31 1 0 30 32 1 0 32 33 2 0 33 34 1 0 26 35 2 0 13 36 1 0 36 37 1 0 36 38 2 0 38 10 1 0 35 14 1 0 23 17 1 0 33 27 1 0 1 39 1 0 1 40 1 0 1 41 1 0 2 42 1 0 2 43 1 0 3 44 1 0 3 45 1 0 4 46 1 0 4 47 1 0 5 48 1 0 5 49 1 0 6 50 1 0 6 51 1 0 7 52 1 0 7 53 1 0 8 54 1 0 8 55 1 0 11 56 1 0 12 57 1 0 18 58 1 0 19 59 1 0 21 60 1 0 21 61 1 0 21 62 1 0 22 63 1 0 24 64 1 0 24 65 1 0 24 66 1 0 28 67 1 0 29 68 1 0 31 69 1 0 31 70 1 0 31 71 1 0 32 72 1 0 34 73 1 0 34 74 1 0 34 75 1 0 37 76 1 0 38 77 1 0 M END