54331060 -OEChem-03192405562D 62 67 0 1 0 0 0 0 0999 V2000 4.9718 1.3894 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.9772 -0.0354 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8041 -2.2721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2660 -0.6257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1671 -0.0044 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.1779 1.3616 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 8.5390 1.4007 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.6730 1.9007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4329 1.9354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5390 0.4007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8069 1.4007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3390 1.4215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8069 0.4007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3390 0.3799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6730 -0.0993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4329 -0.1339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9409 -0.0993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2031 -0.1234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0749 0.4007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0710 0.3732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 0.7326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1505 1.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 1.5986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9609 -0.9829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6472 0.6991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4362 2.0323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 0.7326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 2.4647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6538 2.4311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6472 0.6952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.5986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 2.4647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0104 -1.2936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6538 2.4272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1505 1.5593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5342 2.0207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0715 2.3757 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2744 2.3757 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8265 2.4144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0283 2.4052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5949 1.9833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1963 1.2931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9498 1.3154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5480 2.0052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6730 -0.7193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4258 -0.7539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9409 -0.7193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2007 -0.7434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0482 -1.5967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5805 -1.0035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8520 2.4921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9763 2.4481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0203 1.5724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1900 0.1957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 3.0016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3459 2.9692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9551 0.1571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 1.5986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1900 3.0016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9659 2.9630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7705 1.5569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2148 -2.4647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 23 1 0 0 0 0 2 20 1 0 0 0 0 2 25 1 0 0 0 0 3 33 1 0 0 0 0 3 62 1 0 0 0 0 4 33 2 0 0 0 0 5 19 1 0 0 0 0 5 21 1 0 0 0 0 5 24 1 0 0 0 0 6 20 2 0 0 0 0 6 22 1 0 0 0 0 6 26 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 7 36 1 0 0 0 0 8 11 1 0 0 0 0 8 37 1 0 0 0 0 8 38 1 0 0 0 0 9 12 1 0 0 0 0 9 39 1 0 0 0 0 9 40 1 0 0 0 0 10 15 1 0 0 0 0 10 16 2 0 0 0 0 11 13 1 0 0 0 0 11 41 1 0 0 0 0 11 42 1 0 0 0 0 12 14 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 13 15 2 0 0 0 0 13 17 1 0 0 0 0 14 16 1 0 0 0 0 14 18 2 3 0 0 0 15 45 1 0 0 0 0 16 46 1 0 0 0 0 17 19 2 3 0 0 0 17 47 1 0 0 0 0 18 20 1 0 0 0 0 18 48 1 0 0 0 0 21 23 1 0 0 0 0 21 27 2 0 0 0 0 22 25 1 0 0 0 0 22 29 2 0 0 0 0 23 28 2 0 0 0 0 24 33 1 0 0 0 0 24 49 1 0 0 0 0 24 50 1 0 0 0 0 25 30 2 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 26 53 1 0 0 0 0 27 31 1 0 0 0 0 27 54 1 0 0 0 0 28 32 1 0 0 0 0 28 55 1 0 0 0 0 29 34 1 0 0 0 0 29 56 1 0 0 0 0 30 35 1 0 0 0 0 30 57 1 0 0 0 0 31 32 2 0 0 0 0 31 58 1 0 0 0 0 32 59 1 0 0 0 0 34 35 2 0 0 0 0 34 60 1 0 0 0 0 35 61 1 0 0 0 0 M CHG 1 6 1 M END > 54331060 > 1 > 970 > 5 > 1 > 4 > AAADceB7MABgAAAAAAAAAAAAAAAAAWLAAAAwYIEAAAAAAFiB9AAAHgQACAAADQjB1gQyybMMEgisAyTyTACD8KBhCjhI2Dy4ZJgKIKLgkbGEIAhggAD4yAcQgIAOAAAAAAAAAQAAAAAAAAACAAAAAAAAAA== > 2-[2-[[7-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methylene]-4,4a,5,6-tetrahydro-3H-naphthalen-2-yl]methylene]-1,3-benzothiazol-3-yl]acetic acid > 2-[2-[[7-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-4,4a,5,6-tetrahydro-3H-naphthalen-2-yl]methylidene]-1,3-benzothiazol-3-yl]acetic acid > 2-[2-[[7-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-4,4a,5,6-tetrahydro-3H-naphthalen-2-yl]methylidene]-1,3-benzothiazol-3-yl]acetic acid > 2-[2-[[7-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-4,4a,5,6-tetrahydro-3H-naphthalen-2-yl]methylidene]-1,3-benzothiazol-3-yl]acetic acid > 2-[2-[[7-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-4,4a,5,6-tetrahydro-3H-naphthalen-2-yl]methylidene]-1,3-benzothiazol-3-yl]ethanoic acid > 2-[2-[[7-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methylene]-4,4a,5,6-tetrahydro-3H-naphthalen-2-yl]methylene]-1,3-benzothiazol-3-yl]acetic acid > InChI=1S/C29H26N2O2S2/c1-30-23-6-2-4-8-25(23)34-27(30)16-19-10-12-21-13-11-20(15-22(21)14-19)17-28-31(18-29(32)33)24-7-3-5-9-26(24)35-28/h2-9,14-17,21H,10-13,18H2,1H3/p+1 > SYJNFRVMOVRJOG-UHFFFAOYSA-O > 6.8 > 499.15139546 > C29H27N2O2S2+ > 499.7 > C[N+]1=C(SC2=CC=CC=C21)C=C3CCC4CCC(=CC4=C3)C=C5N(C6=CC=CC=C6S5)CC(=O)O > C[N+]1=C(SC2=CC=CC=C21)C=C3CCC4CCC(=CC4=C3)C=C5N(C6=CC=CC=C6S5)CC(=O)O > 98 > 499.15139546 > 1 > 35 > 0 > 1 > 0 > 2 > 0 > 1 > -1 > 1 5 255 > 14 18 1 17 19 1 2 20 8 2 25 8 21 23 8 21 27 8 22 25 8 22 29 8 23 28 8 25 30 8 27 31 8 28 32 8 29 34 8 30 35 8 31 32 8 34 35 8 6 20 8 6 22 8 7 8 3 $$$$