7-[(3-aminophenyl)carbonylamino]-4-oxidanylidene-3-[[4-[(4-sulfonatophenyl)diazenyl]phenyl]hydrazinylidene]naphthalene-2-sulfonate

Systemtic Name: 7-[(3-aminophenyl)carbonylamino]-4-oxidanylidene-3-[[4-[(4-sulfonatophenyl)diazenyl]phenyl]hydrazinylidene]naphthalene-2-sulfonate Openeye Name: 7-[(3-aminobenzoyl)amino]-4-oxo-3-[[4-(4-sulfonatophenyl)azophenyl]hydrazono]naphthalene-2-sulfonate CAS Name: 7-[[(3-aminophenyl)-oxomethyl]amino]-4-oxo-3-[[4-(4-sulfonatophenyl)azophenyl]hydrazinylidene]-2-naphthalenesulfonate IUPAC Name: 7-[(3-aminobenzoyl)amino]-4-oxo-3-[[4-[(4-sulfonatophenyl)diazenyl]phenyl]hydrazinylidene]naphthalene-2-sulfonate Traditional Name: 7-[(3-aminobenzoyl)amino]-4-keto-3-[[4-(4-sulfonatophenyl)azophenyl]hydrazono]naphthalene-2-sulfonate Formula: C29H20N6O8S2-2 MolecularWeight: 644.6345

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N)C(=O)NC2=CC3=C(C=C2)C(=O)C(=NNC4=CC=C(C=C4)N=NC5=CC=C(C=C5)S(=O)(=O)[O-])C(=C3)S(=O)(=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)N)C(=O)NC2=CC3=C(C=C2)C(=O)C(=NNC4=CC=C(C=C4)N=NC5=CC=C(C=C5)S(=O)(=O)[O-])C(=C3)S(=O)(=O)[O-]

InChI

InChI=1S/C29H22N6O8S2/c30-19-3-1-2-17(14-19)29(37)31-23-10-13-25-18(15-23)16-26(45(41,42)43)27(28(25)36)35-34-21-6-4-20(5-7-21)32-33-22-8-11-24(12-9-22)44(38,39)40/h1-16,34H,30H2,(H,31,37)(H,38,39,40)(H,41,42,43)/p-2