4-[4-[(4-chlorophenyl)diazenyl]-3-methyl-5-oxidanidyl-pyrazol-1-yl]benzenesulfonate

Systemtic Name: 4-[4-[(4-chlorophenyl)diazenyl]-3-methyl-5-oxidanidyl-pyrazol-1-yl]benzenesulfonate Openeye Name: 4-[4-(4-chlorophenyl)azo-3-methyl-5-oxido-pyrazol-1-yl]benzenesulfonate CAS Name: 4-[4-(4-chlorophenyl)azo-3-methyl-5-oxido-1-pyrazolyl]benzenesulfonate IUPAC Name: 4-[4-[(4-chlorophenyl)diazenyl]-3-methyl-5-oxidopyrazol-1-yl]benzenesulfonate Traditional Name: 4-[4-(4-chlorophenyl)azo-3-methyl-5-oxido-pyrazol-1-yl]besylate Formula: C16H11ClN4O4S-2 MolecularWeight: 390.80094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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