60091308 -OEChem-05132418052D 66 68 0 0 0 0 0 0 0999 V2000 4.6783 -0.6740 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.7619 -0.7353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 3.0427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9244 2.5046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 0.9354 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 13.7619 -2.4674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2619 -3.3334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7619 -2.4674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2619 -3.3334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2619 -1.6014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7619 -4.1994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2619 -1.6014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 1.8860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7619 -4.1994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 0.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.3693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 2.0922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 0.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7619 -0.7353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.8693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 -0.7353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 -0.7353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.3693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 0.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 -1.6014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 0.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 -1.6014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2566 3.2489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5673 4.1994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3445 -2.2553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6542 -1.8568 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6793 -3.5455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3695 -3.9440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1793 -2.6794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8695 -3.0780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8445 -3.1214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1542 -2.7228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8445 -1.3893 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1542 -0.9908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1793 -4.4115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8695 -4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6793 -1.8134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3695 -2.2119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9684 2.5056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3751 1.9733 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7619 -4.8194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3819 -4.1994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7619 -3.5794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9880 1.4725 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5812 2.0048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.7507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5719 0.6676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.4893 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.9407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4519 -1.2723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.6793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5719 0.6676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5719 -2.1383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9519 0.6676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9519 -2.1383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1566 4.0068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7599 4.7888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9780 4.3920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 2 12 1 0 0 0 0 2 21 1 0 0 0 0 3 18 1 0 0 0 0 3 31 1 0 0 0 0 4 31 2 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 5 16 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 33 1 0 0 0 0 6 34 1 0 0 0 0 7 9 1 0 0 0 0 7 35 1 0 0 0 0 7 36 1 0 0 0 0 8 10 1 0 0 0 0 8 37 1 0 0 0 0 8 38 1 0 0 0 0 9 11 1 0 0 0 0 9 39 1 0 0 0 0 9 40 1 0 0 0 0 10 12 1 0 0 0 0 10 41 1 0 0 0 0 10 42 1 0 0 0 0 11 15 1 0 0 0 0 11 43 1 0 0 0 0 11 44 1 0 0 0 0 12 45 1 0 0 0 0 12 46 1 0 0 0 0 13 17 1 0 0 0 0 13 19 2 0 0 0 0 14 18 1 0 0 0 0 14 47 1 0 0 0 0 14 48 1 0 0 0 0 15 49 1 0 0 0 0 15 50 1 0 0 0 0 15 51 1 0 0 0 0 16 20 1 0 0 0 0 17 22 2 0 0 0 0 18 52 1 0 0 0 0 18 53 1 0 0 0 0 19 23 1 0 0 0 0 19 54 1 0 0 0 0 20 25 2 3 0 0 0 20 55 1 0 0 0 0 21 27 2 0 0 0 0 21 28 1 0 0 0 0 22 26 1 0 0 0 0 22 56 1 0 0 0 0 23 26 2 0 0 0 0 23 57 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 24 30 1 0 0 0 0 25 58 1 0 0 0 0 26 59 1 0 0 0 0 27 29 1 0 0 0 0 27 60 1 0 0 0 0 28 30 2 0 0 0 0 28 61 1 0 0 0 0 29 62 1 0 0 0 0 30 63 1 0 0 0 0 31 32 1 0 0 0 0 32 64 1 0 0 0 0 32 65 1 0 0 0 0 32 66 1 0 0 0 0 M CHG 1 5 1 M END > 60091308 > 1 > 561 > 4 > 0 > 14 > AAADcfB6MABAAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAFgB9AAAHgQAAAAADAzh3gYyz7MMFAisAyTyTACD+KBhKjhI2Dw+bJgOJqLksZuHOCjkwBH46AeQwKAOIAAAAAAAAQBAAAAAAAACAAAAAAAAAA== > 2-[2-[2-(4-octoxyphenyl)vinyl]-1,3-benzothiazol-3-ium-3-yl]ethyl acetate > acetic acid 2-[2-[2-(4-octoxyphenyl)ethenyl]-1,3-benzothiazol-3-ium-3-yl]ethyl ester > 2-[2-[2-(4-octoxyphenyl)ethenyl]-1,3-benzothiazol-3-ium-3-yl]ethyl acetate > 2-[2-[2-(4-octoxyphenyl)ethenyl]-1,3-benzothiazol-3-ium-3-yl]ethyl acetate > 2-[2-[2-(4-octoxyphenyl)ethenyl]-1,3-benzothiazol-3-ium-3-yl]ethyl ethanoate > acetic acid 2-[2-[2-(4-octoxyphenyl)vinyl]-1,3-benzothiazol-3-ium-3-yl]ethyl ester > InChI=1S/C27H34NO3S/c1-3-4-5-6-7-10-20-31-24-16-13-23(14-17-24)15-18-27-28(19-21-30-22(2)29)25-11-8-9-12-26(25)32-27/h8-9,11-18H,3-7,10,19-21H2,1-2H3/q+1 > YNLMDRGOLWLJOM-UHFFFAOYSA-N > 8 > 452.22594012 > C27H34NO3S+ > 452.6 > CCCCCCCCOC1=CC=C(C=C1)C=CC2=[N+](C3=CC=CC=C3S2)CCOC(=O)C > CCCCCCCCOC1=CC=C(C=C1)C=CC2=[N+](C3=CC=CC=C3S2)CCOC(=O)C > 67.6 > 452.22594012 > 1 > 32 > 0 > 0 > 0 > 1 > 0 > 1 > -1 > 1 5 255 > 1 16 8 1 17 8 13 17 8 13 19 8 17 22 8 19 23 8 20 25 1 21 27 8 21 28 8 22 26 8 23 26 8 24 29 8 24 30 8 27 29 8 28 30 8 5 13 8 5 16 8 $$$$