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

Systemtic Name: 4-[(3-methyl-5-oxidanidyl-1-phenyl-pyrazol-4-yl)diazenyl]benzenesulfonate Openeye Name: 4-(3-methyl-5-oxido-1-phenyl-pyrazol-4-yl)azobenzenesulfonate CAS Name: 4-[(3-methyl-5-oxido-1-phenyl-4-pyrazolyl)azo]benzenesulfonate IUPAC Name: 4-[(3-methyl-5-oxido-1-phenylpyrazol-4-yl)diazenyl]benzenesulfonate Traditional Name: 4-(3-methyl-5-oxido-1-phenyl-pyrazol-4-yl)azobesylate Formula: C16H12N4O4S-2 MolecularWeight: 356.35588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N4O4S/c1-11-15(16(21)20(19-11)13-5-3-2-4-6-13)18-17-12-7-9-14(10-8-12)25(22,23)24/h2-10,21H,1H3,(H,22,23,24)/p-2