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

Systemtic Name: 5-oxidanylidene-1-(2-sulfophenyl)-4-[(2-sulfophenyl)diazenyl]-4H-pyrazole-3-carboxylic acid Openeye Name: 5-oxo-1-(2-sulfophenyl)-4-(2-sulfophenyl)azo-4H-pyrazole-3-carboxylic acid CAS Name: 5-oxo-1-(2-sulfophenyl)-4-(2-sulfophenyl)azo-4H-pyrazole-3-carboxylic acid IUPAC Name: 5-oxo-1-(2-sulfophenyl)-4-[(2-sulfophenyl)diazenyl]-4H-pyrazole-3-carboxylic acid Traditional Name: 5-keto-1-(2-sulfophenyl)-4-(2-sulfophenyl)azo-2-pyrazoline-3-carboxylic acid Formula: C16H12N4O9S2 MolecularWeight: 468.41788

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)N=NC2C(=NN(C2=O)C3=CC=CC=C3S(=O)(=O)O)C(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)N=NC2C(=NN(C2=O)C3=CC=CC=C3S(=O)(=O)O)C(=O)O)S(=O)(=O)O

InChI

InChI=1S/C16H12N4O9S2/c21-15-13(18-17-9-5-1-3-7-11(9)30(24,25)26)14(16(22)23)19-20(15)10-6-2-4-8-12(10)31(27,28)29/h1-8,13H,(H,22,23)(H,24,25,26)(H,27,28,29)