sodium 4-[4-[(2-chlorophenyl)diazenyl]-3-methyl-5-oxidanylidene-4H-pyrazol-1-yl]benzenesulfonate

Systemtic Name: sodium 4-[4-[(2-chlorophenyl)diazenyl]-3-methyl-5-oxidanylidene-4H-pyrazol-1-yl]benzenesulfonate Openeye Name: sodium 4-[4-(2-chlorophenyl)azo-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonate CAS Name: sodium 4-[4-(2-chlorophenyl)azo-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonate IUPAC Name: sodium 4-[4-[(2-chlorophenyl)diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonate Traditional Name: sodium 4-[4-(2-chlorophenyl)azo-5-keto-3-methyl-2-pyrazolin-1-yl]besylate Formula: C16H12ClN4NaO4S MolecularWeight: 414.79865

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1N=NC2=CC=CC=C2Cl)C3=CC=C(C=C3)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC1=NN(C(=O)C1N=NC2=CC=CC=C2Cl)C3=CC=C(C=C3)S(=O)(=O)[O-].[Na+]

InChI

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