1-(4-sulfophenyl)-4-[(4-sulfophenyl)diazenyl]pyrazole-3-carboxylic acid

Systemtic Name: 1-(4-sulfophenyl)-4-[(4-sulfophenyl)diazenyl]pyrazole-3-carboxylic acid Openeye Name: 1-(4-sulfophenyl)-4-(4-sulfophenyl)azo-pyrazole-3-carboxylic acid CAS Name: 1-(4-sulfophenyl)-4-(4-sulfophenyl)azo-3-pyrazolecarboxylic acid IUPAC Name: 1-(4-sulfophenyl)-4-[(4-sulfophenyl)diazenyl]pyrazole-3-carboxylic acid Traditional Name: 1-(4-sulfophenyl)-4-(4-sulfophenyl)azo-pyrazole-3-carboxylic acid Formula: C16H12N4O8S2 MolecularWeight: 452.41848

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N=NC2=CN(N=C2C(=O)O)C3=CC=C(C=C3)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1N=NC2=CN(N=C2C(=O)O)C3=CC=C(C=C3)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C16H12N4O8S2/c21-16(22)15-14(18-17-10-1-5-12(6-2-10)29(23,24)25)9-20(19-15)11-3-7-13(8-4-11)30(26,27)28/h1-9H,(H,21,22)(H,23,24,25)(H,26,27,28)