59731202 -OEChem-03292403582D 83 85 0 1 0 0 0 0 0999 V2000 6.2619 7.2942 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 8.0990 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 -2.2320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 5.5622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 7.2942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 6.4895 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7619 -5.6962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7619 -7.4282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2619 -6.5622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -4.8301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6279 -6.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8958 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -8.2942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8958 -7.9282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6279 -6.9282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7619 -3.9641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 -4.8301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -3.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 -3.9641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 -3.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 2.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 2.9641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 1.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 0.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 3.8301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 4.6962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 -1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 5.5622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 6.4282 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.7619 6.4282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 7.2942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 6.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 8.2942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 6.2942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 6.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7869 -6.1636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7869 -6.9607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3179 -6.7331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1648 -6.5062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9379 -5.6592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2058 -4.6592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3589 -4.8862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5858 -5.7331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7249 -8.6042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5719 -8.8312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7988 -7.9842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5858 -7.3913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3589 -8.2382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2058 -8.4651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9379 -7.4651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1648 -6.6182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3179 -6.3913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1419 -3.9641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5719 -5.3671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9519 -2.5611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3819 -3.9641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7869 2.4966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7869 1.6996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2368 2.5656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2368 3.3626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2368 0.8335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2368 1.6306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7869 4.2287 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7869 3.4316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7869 0.7646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7869 -0.0325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2368 -0.8985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2368 -0.1015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2368 4.2976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2368 5.0947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7869 -0.9675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7869 -1.7646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7869 5.9607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7869 5.1636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1419 6.4282 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8819 5.5622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 8.9142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 5.6742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 8.1042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 6.4842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 30 1 0 0 0 0 1 32 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 3 20 1 0 0 0 0 3 28 1 0 0 0 0 4 31 1 0 0 0 0 4 79 1 0 0 0 0 5 31 2 0 0 0 0 6 32 2 0 0 0 0 6 34 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 8 15 1 0 0 0 0 9 39 1 0 0 0 0 9 40 1 0 0 0 0 10 16 2 0 0 0 0 10 17 1 0 0 0 0 11 41 1 0 0 0 0 11 42 1 0 0 0 0 11 43 1 0 0 0 0 12 44 1 0 0 0 0 12 45 1 0 0 0 0 12 46 1 0 0 0 0 13 47 1 0 0 0 0 13 48 1 0 0 0 0 13 49 1 0 0 0 0 14 50 1 0 0 0 0 14 51 1 0 0 0 0 14 52 1 0 0 0 0 15 53 1 0 0 0 0 15 54 1 0 0 0 0 15 55 1 0 0 0 0 16 18 1 0 0 0 0 16 56 1 0 0 0 0 17 19 2 0 0 0 0 17 57 1 0 0 0 0 18 20 2 0 0 0 0 18 58 1 0 0 0 0 19 20 1 0 0 0 0 19 59 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 60 1 0 0 0 0 21 61 1 0 0 0 0 22 25 1 0 0 0 0 22 62 1 0 0 0 0 22 63 1 0 0 0 0 23 24 1 0 0 0 0 23 64 1 0 0 0 0 23 65 1 0 0 0 0 24 26 1 0 0 0 0 24 68 1 0 0 0 0 24 69 1 0 0 0 0 25 27 1 0 0 0 0 25 66 1 0 0 0 0 25 67 1 0 0 0 0 26 28 1 0 0 0 0 26 70 1 0 0 0 0 26 71 1 0 0 0 0 27 29 1 0 0 0 0 27 72 1 0 0 0 0 27 73 1 0 0 0 0 28 74 1 0 0 0 0 28 75 1 0 0 0 0 29 30 1 0 0 0 0 29 76 1 0 0 0 0 29 77 1 0 0 0 0 30 31 1 0 0 0 0 30 78 1 0 0 0 0 33 34 1 0 0 0 0 33 35 2 0 0 0 0 34 36 2 0 0 0 0 35 37 1 0 0 0 0 35 80 1 0 0 0 0 36 38 1 0 0 0 0 36 81 1 0 0 0 0 37 38 2 0 0 0 0 37 82 1 0 0 0 0 38 83 1 0 0 0 0 M END > 59731202 > 1 > 687 > 6 > 1 > 17 > AAADcfB+MABgAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAFgB9AAAHgQACAAADgyl3gKyz7IIFgisAyTyTACD+aBhKjhImD02bJgMJrLksZuGeCjkwBFI6AeYyPCPoAAAAAAAAQBAAAAAAAACAAAAAAAAAA== > 2-(1,3-benzothiazol-2-ylsulfanyl)-11-[4-(1,1,3,3-tetramethylbutyl)phenoxy]undecanoic acid > 2-(1,3-benzothiazol-2-ylthio)-11-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]undecanoic acid > 2-(1,3-benzothiazol-2-ylsulfanyl)-11-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]undecanoic acid > 2-(1,3-benzothiazol-2-ylsulfanyl)-11-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]undecanoic acid > 2-(1,3-benzothiazol-2-ylsulfanyl)-11-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]undecanoic acid > 2-(1,3-benzothiazol-2-ylthio)-11-[4-(1,1,3,3-tetramethylbutyl)phenoxy]undecanoic acid > InChI=1S/C32H45NO3S2/c1-31(2,3)23-32(4,5)24-18-20-25(21-19-24)36-22-14-10-8-6-7-9-11-17-28(29(34)35)38-30-33-26-15-12-13-16-27(26)37-30/h12-13,15-16,18-21,28H,6-11,14,17,22-23H2,1-5H3,(H,34,35) > XPVLJTYOPSHQPZ-UHFFFAOYSA-N > 11.5 > 555.28408664 > C32H45NO3S2 > 555.8 > CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCCCCCCCCC(C(=O)O)SC2=NC3=CC=CC=C3S2 > CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCCCCCCCCC(C(=O)O)SC2=NC3=CC=CC=C3S2 > 113 > 555.28408664 > 0 > 38 > 0 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 16 8 10 17 8 16 18 8 17 19 8 18 20 8 19 20 8 2 32 8 2 33 8 30 29 3 33 34 8 33 35 8 34 36 8 35 37 8 36 38 8 37 38 8 6 32 8 6 34 8 $$$$