3-[[4-(methylamino)-2-sulfo-phenyl]diazenyl]-2-oxidanylidene-1-(3-sulfophenyl)-3H-pyrrole-4-carboxylic acid

Systemtic Name: 3-[[4-(methylamino)-2-sulfo-phenyl]diazenyl]-2-oxidanylidene-1-(3-sulfophenyl)-3H-pyrrole-4-carboxylic acid Openeye Name: 3-[4-(methylamino)-2-sulfo-phenyl]azo-2-oxo-1-(3-sulfophenyl)-3H-pyrrole-4-carboxylic acid CAS Name: 3-[4-(methylamino)-2-sulfophenyl]azo-2-oxo-1-(3-sulfophenyl)-3H-pyrrole-4-carboxylic acid IUPAC Name: 3-[[4-(methylamino)-2-sulfophenyl]diazenyl]-2-oxo-1-(3-sulfophenyl)-3H-pyrrole-4-carboxylic acid Traditional Name: 5-keto-4-[4-(methylamino)-2-sulfo-phenyl]azo-1-(3-sulfophenyl)-2-pyrroline-3-carboxylic acid Formula: C18H16N4O9S2 MolecularWeight: 496.47104

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=CC(=C(C=C1)N=NC2C(=CN(C2=O)C3=CC(=CC=C3)S(=O)(=O)O)C(=O)O)S(=O)(=O)O

Isomeric SMILES

CNC1=CC(=C(C=C1)N=NC2C(=CN(C2=O)C3=CC(=CC=C3)S(=O)(=O)O)C(=O)O)S(=O)(=O)O

InChI

InChI=1S/C18H16N4O9S2/c1-19-10-5-6-14(15(7-10)33(29,30)31)20-21-16-13(18(24)25)9-22(17(16)23)11-3-2-4-12(8-11)32(26,27)28/h2-9,16,19H,1H3,(H,24,25)(H,26,27,28)(H,29,30,31)