1-(4-carboxyphenyl)-5-oxidanylidene-4-[(4-sulfophenyl)diazenyl]-4H-pyrazole-3-carboxylic acid

Systemtic Name: 1-(4-carboxyphenyl)-5-oxidanylidene-4-[(4-sulfophenyl)diazenyl]-4H-pyrazole-3-carboxylic acid Openeye Name: 1-(4-carboxyphenyl)-5-oxo-4-(4-sulfophenyl)azo-4H-pyrazole-3-carboxylic acid CAS Name: 1-(4-carboxyphenyl)-5-oxo-4-(4-sulfophenyl)azo-4H-pyrazole-3-carboxylic acid IUPAC Name: 1-(4-carboxyphenyl)-5-oxo-4-[(4-sulfophenyl)diazenyl]-4H-pyrazole-3-carboxylic acid Traditional Name: 1-(4-carboxyphenyl)-5-keto-4-(4-sulfophenyl)azo-2-pyrazoline-3-carboxylic acid Formula: C17H12N4O8S MolecularWeight: 432.36418

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)N2C(=O)C(C(=N2)C(=O)O)N=NC3=CC=C(C=C3)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)N2C(=O)C(C(=N2)C(=O)O)N=NC3=CC=C(C=C3)S(=O)(=O)O

InChI

InChI=1S/C17H12N4O8S/c22-15-13(19-18-10-3-7-12(8-4-10)30(27,28)29)14(17(25)26)20-21(15)11-5-1-9(2-6-11)16(23)24/h1-8,13H,(H,23,24)(H,25,26)(H,27,28,29)