Marvin 11300916532D 37 39 0 0 0 0 999 V2000 -0.8839 0.5893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5984 0.1768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5984 -0.6482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8839 -1.0607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1989 -0.6482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1989 0.1768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5155 0.5893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5155 -1.0607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2300 -0.6482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2300 0.1768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8763 -1.8857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9445 -1.0607 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6589 -0.6482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3734 -1.0607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6589 0.1768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3129 -1.0607 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0273 -0.6482 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7418 -1.0607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4563 -0.6482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1707 -1.0607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4563 -2.2982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7418 -1.8857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0273 0.1768 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.3129 0.5893 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.9004 1.3038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7254 1.3037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1707 -1.8857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5997 -1.8857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8852 -2.2982 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.4727 -3.0127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2978 -3.0127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3142 -2.2982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0287 -1.8857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.7431 -2.2982 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -9.4576 -1.8857 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -9.1556 -3.0127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3307 -3.0127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 7 6 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 7 10 2 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 4 11 1 0 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 3 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 22 18 2 0 0 0 0 19 18 1 0 0 0 0 19 20 2 0 0 0 0 20 27 1 0 0 0 0 27 21 2 0 0 0 0 21 22 1 0 0 0 0 2 24 1 0 0 0 0 24 23 1 0 0 0 0 26 24 2 0 0 0 0 24 25 2 0 0 0 0 27 29 1 0 0 0 0 29 28 1 0 0 0 0 31 29 2 0 0 0 0 29 30 2 0 0 0 0 28 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 36 2 0 0 0 0 37 34 2 0 0 0 0 M CHG 2 23 -1 35 -1 M END > CHEBI:53733 > remazole orange-3R(2-) > The organosulfonate oxoanion that is the dianionic form of the azo dye remazole orange-3R. > 3 > 6-acetamido-4-hydroxy-3-[(4-{[2-(sulfonatooxy)ethyl]sulfonyl}phenyl)diazenyl]naphthalene-2-sulfonate > C20H17N3O11S3 > 571.55700 > 571.00362 > -2 > CC(=O)Nc1ccc2cc(c(\N=N\c3ccc(cc3)S(=O)(=O)CCOS([O-])(=O)=O)c(O)c2c1)S([O-])(=O)=O > InChI=1S/C20H19N3O11S3/c1-12(24)21-15-3-2-13-10-18(36(28,29)30)19(20(25)17(13)11-15)23-22-14-4-6-16(7-5-14)35(26,27)9-8-34-37(31,32)33/h2-7,10-11,25H,8-9H2,1H3,(H,21,24)(H,28,29,30)(H,31,32,33)/p-2/b23-22+ > INOIOAWTVPHTCJ-GHVJWSGMSA-L $$$$