trisodium (6Z)-3-[[2-[(4-ethenylsulfonyl-2-methoxy-5-methyl-phenyl)diazenyl]-3-oxidanylidene-butanoyl]amino]-7-oxidanidylperoxysulfanyl-5-oxidanylidene-6-[(1-sulfonatonaphthalen-2-yl)hydrazinylidene]naphthalene-2-sulfonate

Systemtic Name: trisodium (6Z)-3-[[2-[(4-ethenylsulfonyl-2-methoxy-5-methyl-phenyl)diazenyl]-3-oxidanylidene-butanoyl]amino]-7-oxidanidylperoxysulfanyl-5-oxidanylidene-6-[(1-sulfonatonaphthalen-2-yl)hydrazinylidene]naphthalene-2-sulfonate Openeye Name: trisodium (6Z)-3-[[2-(2-methoxy-5-methyl-4-vinylsulfonyl-phenyl)azo-3-oxo-butanoyl]amino]-7-oxidoperoxysulfanyl-5-oxo-6-[(1-sulfonato-2-naphthyl)hydrazono]naphthalene-2-sulfonate CAS Name: trisodium (6Z)-3-[[2-(4-ethenylsulfonyl-2-methoxy-5-methylphenyl)azo-1,3-dioxobutyl]amino]-7-(oxidodioxythio)-5-oxo-6-[(1-sulfonato-2-naphthalenyl)hydrazinylidene]-2-naphthalenesulfonate IUPAC Name: trisodium (6Z)-3-[[2-[(4-ethenylsulfonyl-2-methoxy-5-methylphenyl)diazenyl]-3-oxobutanoyl]amino]-7-oxidoperoxysulfanyl-5-oxo-6-[(1-sulfonatonaphthalen-2-yl)hydrazinylidene]naphthalene-2-sulfonate Traditional Name: trisodium (6Z)-5-keto-3-[[3-keto-2-(2-methoxy-5-methyl-4-vinylsulfonyl-phenyl)azo-butanoyl]amino]-7-(oxidoperoxythio)-6-[(1-sulfonato-2-naphthyl)hydrazono]naphthalene-2-sulfonate Formula: C34H26N5Na3O15S4 MolecularWeight: 941.82405

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1S(=O)(=O)C=C)OC)N=NC(C(=O)C)C(=O)NC2=C(C=C3C=C(C(=NNC4=C(C5=CC=CC=C5C=C4)S(=O)(=O)[O-])C(=O)C3=C2)SOO[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

CC1=CC(=C(C=C1S(=O)(=O)C=C)OC)N=NC(C(=O)C)C(=O)NC2=C(C=C3C=C(/C(=N\NC4=C(C5=CC=CC=C5C=C4)S(=O)(=O)[O-])/C(=O)C3=C2)SOO[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C34H29N5O15S4.3Na/c1-5-56(44,45)28-16-26(52-4)24(12-17(28)2)37-38-30(18(3)40)34(42)35-25-15-22-20(14-29(25)57(46,47)48)13-27(55-54-53-43)31(32(22)41)39-36-23-11-10-19-8-6-7-9-21(19)33(23)58(49,50)51;;;/h5-16,30,36,43H,1H2,2-4H3,(H,35,42)(H,46,47,48)(H,49,50,51);;;/q;3*+1/p-3/b38-37?,39-31+;;;