[2-(2-methylphenyl)-3-oxidanylidene-1H-pyrazol-5-yl]methanesulfonic acid

Systemtic Name: [2-(2-methylphenyl)-3-oxidanylidene-1H-pyrazol-5-yl]methanesulfonic acid Openeye Name: [2-(o-tolyl)-3-oxo-1H-pyrazol-5-yl]methanesulfonic acid CAS Name: [2-(2-methylphenyl)-3-oxo-1H-pyrazol-5-yl]methanesulfonic acid IUPAC Name: [2-(2-methylphenyl)-3-oxo-1H-pyrazol-5-yl]methanesulfonic acid Traditional Name: [5-keto-1-(o-tolyl)-3-pyrazolin-3-yl]methanesulfonic acid Formula: C11H12N2O4S MolecularWeight: 268.28898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C=C(N2)CS(=O)(=O)O

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C=C(N2)CS(=O)(=O)O

InChI

InChI=1S/C11H12N2O4S/c1-8-4-2-3-5-10(8)13-11(14)6-9(12-13)7-18(15,16)17/h2-6,12H,7H2,1H3,(H,15,16,17)