3-(3-methyl-5-oxidanylidene-4H-pyrazol-1-yl)benzenesulfonate

Systemtic Name: 3-(3-methyl-5-oxidanylidene-4H-pyrazol-1-yl)benzenesulfonate Openeye Name: 3-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonate CAS Name: 3-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonate IUPAC Name: 3-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonate Traditional Name: 3-(5-keto-3-methyl-2-pyrazolin-1-yl)besylate Formula: C10H9N2O4S- MolecularWeight: 253.25446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1)C2=CC(=CC=C2)S(=O)(=O)[O-]

Isomeric SMILES

CC1=NN(C(=O)C1)C2=CC(=CC=C2)S(=O)(=O)[O-]

InChI

InChI=1S/C10H10N2O4S/c1-7-5-10(13)12(11-7)8-3-2-4-9(6-8)17(14,15)16/h2-4,6H,5H2,1H3,(H,14,15,16)/p-1