21792527 -OEChem-05102413112D 43 45 0 0 0 0 0 0 0999 V2000 4.6783 -1.8945 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.6318 2.3603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3426 1.2036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -0.2850 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 10.7619 -1.9558 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.5897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -1.0898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.5898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 0.6655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.0897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 -1.0898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.0898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 -1.9558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 -1.9558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.5898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7619 -1.9558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 -1.0898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 -2.8218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3211 1.4098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 -1.0898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 -2.8218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2619 -2.8218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2619 -1.0898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5359 0.3735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3715 1.1534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.5303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5719 -0.5528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.7098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4519 -2.4927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.2797 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.8998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9519 -0.5528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9519 -3.3587 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5719 -0.5528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5719 -3.3587 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7249 -3.1318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5719 -3.3587 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7988 -2.5118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7988 -1.3998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5719 -0.5528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7249 -0.7797 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2177 2.8218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 2 20 1 0 0 0 0 2 43 1 0 0 0 0 3 20 2 0 0 0 0 4 6 1 0 0 0 0 4 7 2 0 0 0 0 4 9 1 0 0 0 0 5 17 1 0 0 0 0 5 23 1 0 0 0 0 5 24 1 0 0 0 0 6 8 1 0 0 0 0 6 10 2 0 0 0 0 7 11 1 0 0 0 0 8 12 2 0 0 0 0 9 20 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 15 1 0 0 0 0 10 27 1 0 0 0 0 11 14 2 0 0 0 0 11 28 1 0 0 0 0 12 16 1 0 0 0 0 12 29 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 13 19 1 0 0 0 0 14 30 1 0 0 0 0 15 16 2 0 0 0 0 15 31 1 0 0 0 0 16 32 1 0 0 0 0 17 21 2 0 0 0 0 17 22 1 0 0 0 0 18 21 1 0 0 0 0 18 33 1 0 0 0 0 19 22 2 0 0 0 0 19 34 1 0 0 0 0 21 35 1 0 0 0 0 22 36 1 0 0 0 0 23 37 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 M CHG 1 4 1 M END > 21792527 > 1 > 460 > 4 > 1 > 5 > AAADceB7MABAAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAFgB9AAAHgQACAAADAjB3gQyybMMEgisAyTyTACD8KBhCjhI2Dy4ZJgKIKLgkbGEIAhggAD4yAcQgAAOCAAAAAAAAQAQAAAAAAACAAAAAAAAAA== > 2-[2-[(E)-2-[4-(dimethylamino)phenyl]vinyl]-1,3-benzothiazol-3-ium-3-yl]acetic acid > 2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-1,3-benzothiazol-3-ium-3-yl]acetic acid > 2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-1,3-benzothiazol-3-ium-3-yl]acetic acid > 2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-1,3-benzothiazol-3-ium-3-yl]acetic acid > 2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-1,3-benzothiazol-3-ium-3-yl]ethanoic acid > 2-[2-[(E)-2-[4-(dimethylamino)phenyl]vinyl]-1,3-benzothiazol-3-ium-3-yl]acetic acid > InChI=1S/C19H18N2O2S/c1-20(2)15-10-7-14(8-11-15)9-12-18-21(13-19(22)23)16-5-3-4-6-17(16)24-18/h3-12H,13H2,1-2H3/p+1 > VMOCBACSQNYYMH-UHFFFAOYSA-O > 4.6 > 339.11672403 > C19H19N2O2S+ > 339.4 > CN(C)C1=CC=C(C=C1)C=CC2=[N+](C3=CC=CC=C3S2)CC(=O)O > CN(C)C1=CC=C(C=C1)/C=C/C2=[N+](C3=CC=CC=C3S2)CC(=O)O > 72.7 > 339.11672403 > 1 > 24 > 0 > 0 > 1 > 0 > 0 > 1 > -1 > 1 5 255 > 1 7 8 1 8 8 10 15 8 12 16 8 13 18 8 13 19 8 15 16 8 17 21 8 17 22 8 18 21 8 19 22 8 4 6 8 4 7 8 6 10 8 6 8 8 8 12 8 $$$$