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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C(=O)C(C(=N2)C(=O)O)N=NC3=C(C=CC(=C3)N)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1N2C(=O)C(C(=N2)C(=O)O)N=NC3=C(C=CC(=C3)N)S(=O)(=O)O)S(=O)(=O)O

InChI

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