4-[4-[(3-chlorophenyl)diazenyl]-3-methyl-5-oxidanylidene-4H-pyrazol-1-yl]benzenesulfonic acid

Systemtic Name: 4-[4-[(3-chlorophenyl)diazenyl]-3-methyl-5-oxidanylidene-4H-pyrazol-1-yl]benzenesulfonic acid Openeye Name: 4-[4-(3-chlorophenyl)azo-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid CAS Name: 4-[4-(3-chlorophenyl)azo-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid IUPAC Name: 4-[4-[(3-chlorophenyl)diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid Traditional Name: 4-[4-(3-chlorophenyl)azo-5-keto-3-methyl-2-pyrazolin-1-yl]besylic acid Formula: C16H13ClN4O4S MolecularWeight: 392.81682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1N=NC2=CC(=CC=C2)Cl)C3=CC=C(C=C3)S(=O)(=O)O

Isomeric SMILES

CC1=NN(C(=O)C1N=NC2=CC(=CC=C2)Cl)C3=CC=C(C=C3)S(=O)(=O)O

InChI

InChI=1S/C16H13ClN4O4S/c1-10-15(19-18-12-4-2-3-11(17)9-12)16(22)21(20-10)13-5-7-14(8-6-13)26(23,24)25/h2-9,15H,1H3,(H,23,24,25)