3-[[2-methoxy-4-[(4-sulfophenyl)diazenyl]phenyl]hydrazinylidene]-6-oxidanylidene-cyclohexa-1,4-diene-1-carboxylic acid; sodium

Systemtic Name: 3-[[2-methoxy-4-[(4-sulfophenyl)diazenyl]phenyl]hydrazinylidene]-6-oxidanylidene-cyclohexa-1,4-diene-1-carboxylic acid; sodium Openeye Name: 3-[[2-methoxy-4-(4-sulfophenyl)azo-phenyl]hydrazono]-6-oxo-cyclohexa-1,4-diene-1-carboxylic acid; sodium CAS Name: 3-[[2-methoxy-4-(4-sulfophenyl)azophenyl]hydrazinylidene]-6-oxo-1-cyclohexa-1,4-dienecarboxylic acid; sodium IUPAC Name: 3-[[2-methoxy-4-[(4-sulfophenyl)diazenyl]phenyl]hydrazinylidene]-6-oxocyclohexa-1,4-diene-1-carboxylic acid; sodium Traditional Name: 6-keto-3-[[2-methoxy-4-(4-sulfophenyl)azo-phenyl]hydrazono]cyclohexa-1,4-diene-1-carboxylic acid; sodium Formula: C20H16N4NaO7S MolecularWeight: 479.41841

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)N=NC2=CC=C(C=C2)S(=O)(=O)O)NN=C3C=CC(=O)C(=C3)C(=O)O.[Na]

Isomeric SMILES

COC1=C(C=CC(=C1)N=NC2=CC=C(C=C2)S(=O)(=O)O)NN=C3C=CC(=O)C(=C3)C(=O)O.[Na]

InChI

InChI=1S/C20H16N4O7S.Na/c1-31-19-11-14(22-21-12-2-6-15(7-3-12)32(28,29)30)4-8-17(19)24-23-13-5-9-18(25)16(10-13)20(26)27;/h2-11,24H,1H3,(H,26,27)(H,28,29,30);