59018714 -OEChem-04192423242D 66 71 0 1 0 0 0 0 0999 V2000 16.5579 -3.3575 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 14.6166 -2.3857 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 4.0475 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 2.8522 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 17.4239 -2.8575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0579 -4.2235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0579 -2.4915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 5.0475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7320 4.0475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 4.0475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2228 -3.1904 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 1.2428 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6279 1.1815 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1279 2.0475 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6279 1.1815 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.6919 -4.8575 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.8258 -5.3575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6919 -3.8575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8258 -3.3575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9598 -3.8575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9598 -4.8575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5579 -5.3575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6279 -2.2826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1279 -1.4166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.0475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.5475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1279 -1.4166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6279 -0.5506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.5475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.5475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1279 2.0475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.5475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.0475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6279 -0.5506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1279 0.3154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1279 0.3154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1279 2.0475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.0475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6279 2.9135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6279 1.1815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1279 2.0475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6279 2.9135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6279 1.1815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2288 -4.5475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4273 -5.8324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2244 -5.8324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4229 -5.1675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2479 -5.8944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0948 -5.6675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8679 -4.8206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9608 -3.1675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8179 -1.9535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2479 -0.5506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.4275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 1.2375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0079 -0.5506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4379 0.8524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 3.5844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 3.3575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 2.5106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3179 3.4505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3179 0.6445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9379 3.4505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9379 0.6445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 5.3575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4379 2.5844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 6 2 0 0 0 0 1 7 2 0 0 0 0 1 18 1 0 0 0 0 2 19 1 0 0 0 0 2 23 1 0 0 0 0 3 8 1 0 0 0 0 3 9 2 0 0 0 0 3 10 2 0 0 0 0 3 25 1 0 0 0 0 4 26 1 0 0 0 0 4 31 1 0 0 0 0 5 51 1 0 0 0 0 8 65 1 0 0 0 0 11 20 1 0 0 0 0 11 23 2 0 0 0 0 12 30 1 0 0 0 0 12 31 2 0 0 0 0 13 15 2 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 41 1 0 0 0 0 14 66 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 22 1 0 0 0 0 16 44 1 0 0 0 0 17 21 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 47 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 23 24 1 0 0 0 0 24 27 2 0 0 0 0 24 28 1 0 0 0 0 25 26 1 0 0 0 0 25 29 2 0 0 0 0 26 30 2 0 0 0 0 27 34 1 0 0 0 0 27 52 1 0 0 0 0 28 35 2 0 0 0 0 28 53 1 0 0 0 0 29 32 1 0 0 0 0 29 38 1 0 0 0 0 30 33 1 0 0 0 0 31 37 1 0 0 0 0 32 33 2 0 0 0 0 32 55 1 0 0 0 0 33 54 1 0 0 0 0 34 36 2 0 0 0 0 34 56 1 0 0 0 0 35 36 1 0 0 0 0 35 57 1 0 0 0 0 37 39 2 0 0 0 0 37 40 1 0 0 0 0 38 58 1 0 0 0 0 38 59 1 0 0 0 0 38 60 1 0 0 0 0 39 42 1 0 0 0 0 39 61 1 0 0 0 0 40 43 2 0 0 0 0 40 62 1 0 0 0 0 41 42 2 0 0 0 0 41 43 1 0 0 0 0 42 63 1 0 0 0 0 43 64 1 0 0 0 0 M END > 59018714 > 1 > 1400 > 13 > 3 > 7 > AAADceB7uABwAAAAAAAAAAAAAAAAAWIAAAAwYMEAAAAAAFgB9AAAHAQYCAAADQiBXgAywbJqEIqmAyRiRHDD9OBhCjgYmDQwZJgIIKLgkZGEIAxgkADoyAcQgAAOCAAAgCAEAwAQAAEAQAgGAAAAAAAAAA== > 6-methyl-2-[4-[2-[4-(6-methyl-7-sulfo-5,6-dihydro-1,3-benzothiazol-2-yl)phenyl]iminohydrazino]phenyl]-1,3-benzothiazole-7-sulfonic acid > 6-methyl-2-[4-[2-[4-(6-methyl-7-sulfo-5,6-dihydro-1,3-benzothiazol-2-yl)phenyl]iminohydrazinyl]phenyl]-1,3-benzothiazole-7-sulfonic acid > 6-methyl-2-[4-[2-[4-(6-methyl-7-sulfo-5,6-dihydro-1,3-benzothiazol-2-yl)phenyl]iminohydrazinyl]phenyl]-1,3-benzothiazole-7-sulfonic acid > 6-methyl-2-[4-[2-[4-(6-methyl-7-sulfo-5,6-dihydro-1,3-benzothiazol-2-yl)phenyl]iminohydrazinyl]phenyl]-1,3-benzothiazole-7-sulfonic acid > 6-methyl-2-[4-[2-[4-(6-methyl-7-sulfo-5,6-dihydro-1,3-benzothiazol-2-yl)phenyl]iminohydrazinyl]phenyl]-1,3-benzothiazole-7-sulfonic acid > 6-methyl-2-[4-[N'-[4-(6-methyl-7-sulfo-5,6-dihydro-1,3-benzothiazol-2-yl)phenyl]iminohydrazino]phenyl]-1,3-benzothiazole-7-sulfonic acid > InChI=1S/C28H23N5O6S4/c1-15-3-13-21-23(25(15)42(34,35)36)40-27(29-21)17-5-9-19(10-6-17)31-33-32-20-11-7-18(8-12-20)28-30-22-14-4-16(2)26(24(22)41-28)43(37,38)39/h3,5-14,16H,4H2,1-2H3,(H,31,32)(H,34,35,36)(H,37,38,39) > OBCBTHJMHSJEIB-UHFFFAOYSA-N > 5.4 > 653.05311816 > C28H23N5O6S4 > 653.8 > CC1CC=C2C(=C1S(=O)(=O)O)SC(=N2)C3=CC=C(C=C3)N=NNC4=CC=C(C=C4)C5=NC6=C(S5)C(=C(C=C6)C)S(=O)(=O)O > CC1CC=C2C(=C1S(=O)(=O)O)SC(=N2)C3=CC=C(C=C3)N=NNC4=CC=C(C=C4)C5=NC6=C(S5)C(=C(C=C6)C)S(=O)(=O)O > 241 > 653.05311816 > 0 > 43 > 0 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 11 20 8 11 23 8 12 30 8 12 31 8 16 22 3 19 20 8 2 19 8 2 23 8 24 27 8 24 28 8 25 26 8 25 29 8 26 30 8 27 34 8 28 35 8 29 32 8 30 33 8 32 33 8 34 36 8 35 36 8 37 39 8 37 40 8 39 42 8 4 26 8 4 31 8 40 43 8 41 42 8 41 43 8 $$$$