disodium 5-[[5-methoxy-2-methyl-4-[(5-oxidanyl-7-sulfonato-naphthalen-2-yl)carbamoylamino]phenyl]diazenyl]-4-(phenylsulfonyloxy)-7-sulfo-naphthalene-2-sulfonate

Systemtic Name: disodium 5-[[5-methoxy-2-methyl-4-[(5-oxidanyl-7-sulfonato-naphthalen-2-yl)carbamoylamino]phenyl]diazenyl]-4-(phenylsulfonyloxy)-7-sulfo-naphthalene-2-sulfonate Openeye Name: disodium 4-(benzenesulfonyloxy)-5-[4-[(5-hydroxy-7-sulfonato-2-naphthyl)carbamoylamino]-5-methoxy-2-methyl-phenyl]azo-7-sulfo-naphthalene-2-sulfonate CAS Name: disodium 4-(benzenesulfonyloxy)-5-[4-[[[(5-hydroxy-7-sulfonato-2-naphthalenyl)amino]-oxomethyl]amino]-5-methoxy-2-methylphenyl]azo-7-sulfo-2-naphthalenesulfonate IUPAC Name: disodium 4-(benzenesulfonyloxy)-5-[[4-[(5-hydroxy-7-sulfonatonaphthalen-2-yl)carbamoylamino]-5-methoxy-2-methylphenyl]diazenyl]-7-sulfonaphthalene-2-sulfonate Traditional Name: disodium 4-besyloxy-5-[4-[(5-hydroxy-7-sulfonato-2-naphthyl)carbamoylamino]-5-methoxy-2-methyl-phenyl]azo-7-sulfo-naphthalene-2-sulfonate Formula: C35H26N4Na2O15S4 MolecularWeight: 916.83828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1N=NC2=C3C(=CC(=C2)S(=O)(=O)O)C=C(C=C3OS(=O)(=O)C4=CC=CC=C4)S(=O)(=O)[O-])OC)NC(=O)NC5=CC6=CC(=CC(=C6C=C5)O)S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CC1=CC(=C(C=C1N=NC2=C3C(=CC(=C2)S(=O)(=O)O)C=C(C=C3OS(=O)(=O)C4=CC=CC=C4)S(=O)(=O)[O-])OC)NC(=O)NC5=CC6=CC(=CC(=C6C=C5)O)S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C35H28N4O15S4.2Na/c1-19-10-29(37-35(41)36-22-8-9-27-20(11-22)12-25(16-31(27)40)56(45,46)47)32(53-2)18-28(19)38-39-30-15-24(55(42,43)44)13-21-14-26(57(48,49)50)17-33(34(21)30)54-58(51,52)23-6-4-3-5-7-23;;/h3-18,40H,1-2H3,(H2,36,37,41)(H,42,43,44)(H,45,46,47)(H,48,49,50);;/q;2*+1/p-2