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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=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-])N

Isomeric SMILES

C1=CC(=CC=C1C(=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-])N

InChI

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