1-(4-carboxylatophenyl)-5-oxidanylidene-4-[(4-sulfonatophenyl)diazenyl]-4H-pyrazole-3-carboxylate

Systemtic Name: 1-(4-carboxylatophenyl)-5-oxidanylidene-4-[(4-sulfonatophenyl)diazenyl]-4H-pyrazole-3-carboxylate Openeye Name: 1-(4-carboxylatophenyl)-5-oxo-4-(4-sulfonatophenyl)azo-4H-pyrazole-3-carboxylate CAS Name: 1-(4-carboxylatophenyl)-5-oxo-4-(4-sulfonatophenyl)azo-4H-pyrazole-3-carboxylate IUPAC Name: 1-(4-carboxylatophenyl)-5-oxo-4-[(4-sulfonatophenyl)diazenyl]-4H-pyrazole-3-carboxylate Traditional Name: 1-(4-carboxylatophenyl)-5-keto-4-(4-sulfonatophenyl)azo-2-pyrazoline-3-carboxylate Formula: C17H9N4O8S-3 MolecularWeight: 429.34036

Click to see the large picture

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)/p-3