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

Systemtic Name: 4-[(4-methylphenyl)diazenyl]-5-oxidanylidene-1-(4-sulfonatophenyl)-4H-pyrazole-3-carboxylate Openeye Name: 5-oxo-4-(p-tolylazo)-1-(4-sulfonatophenyl)-4H-pyrazole-3-carboxylate CAS Name: 4-(4-methylphenyl)azo-5-oxo-1-(4-sulfonatophenyl)-4H-pyrazole-3-carboxylate IUPAC Name: 4-[(4-methylphenyl)diazenyl]-5-oxo-1-(4-sulfonatophenyl)-4H-pyrazole-3-carboxylate Traditional Name: 5-keto-4-(p-tolylazo)-1-(4-sulfonatophenyl)-2-pyrazoline-3-carboxylate Formula: C17H12N4O6S-2 MolecularWeight: 400.36538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N=NC2C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)[O-])C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)N=NC2C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C17H14N4O6S/c1-10-2-4-11(5-3-10)18-19-14-15(17(23)24)20-21(16(14)22)12-6-8-13(9-7-12)28(25,26)27/h2-9,14H,1H3,(H,23,24)(H,25,26,27)/p-2