2-[(3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl)diazenyl]benzenesulfonic acid; sodium

Systemtic Name: 2-[(3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl)diazenyl]benzenesulfonic acid; sodium Openeye Name: 2-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)azo]benzenesulfonic acid; sodium CAS Name: 2-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)azo]benzenesulfonic acid; sodium IUPAC Name: 2-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)diazenyl]benzenesulfonic acid; sodium Traditional Name: 2-[(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-yl)azo]besylic acid; sodium Formula: C16H14N4NaO4S MolecularWeight: 381.36153

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1N=NC2=CC=CC=C2S(=O)(=O)O)C3=CC=CC=C3.[Na]

Isomeric SMILES

CC1=NN(C(=O)C1N=NC2=CC=CC=C2S(=O)(=O)O)C3=CC=CC=C3.[Na]

InChI

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