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

Systemtic Name: 4-[(3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl)diazenyl]benzenesulfonic acid Openeye Name: 4-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)azo]benzenesulfonic acid CAS Name: 4-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)azo]benzenesulfonic acid IUPAC Name: 4-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)diazenyl]benzenesulfonic acid Traditional Name: 4-[(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-yl)azo]besylic acid Formula: C16H14N4O4S MolecularWeight: 358.37176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=NN(C(=O)C1N=NC2=CC=C(C=C2)S(=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/h2-10,15H,1H3,(H,22,23,24)