1-(4-azanyl-2-sulfo-phenyl)-5-oxidanylidene-4-[(2-sulfophenyl)diazenyl]-4H-pyrazole-3-carboxylic acid

Systemtic Name: 1-(4-azanyl-2-sulfo-phenyl)-5-oxidanylidene-4-[(2-sulfophenyl)diazenyl]-4H-pyrazole-3-carboxylic acid Openeye Name: 1-(4-amino-2-sulfo-phenyl)-5-oxo-4-(2-sulfophenyl)azo-4H-pyrazole-3-carboxylic acid CAS Name: 1-(4-amino-2-sulfophenyl)-5-oxo-4-(2-sulfophenyl)azo-4H-pyrazole-3-carboxylic acid IUPAC Name: 1-(4-amino-2-sulfophenyl)-5-oxo-4-[(2-sulfophenyl)diazenyl]-4H-pyrazole-3-carboxylic acid Traditional Name: 1-(4-amino-2-sulfo-phenyl)-5-keto-4-(2-sulfophenyl)azo-2-pyrazoline-3-carboxylic acid Formula: C16H13N5O9S2 MolecularWeight: 483.43252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13N5O9S2/c17-8-5-6-10(12(7-8)32(28,29)30)21-15(22)13(14(20-21)16(23)24)19-18-9-3-1-2-4-11(9)31(25,26)27/h1-7,13H,17H2,(H,23,24)(H,25,26,27)(H,28,29,30)