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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(N1)C2=CC=CC(=C2)CS(=O)(=O)O

Isomeric SMILES

CC1=CC(=O)N(N1)C2=CC=CC(=C2)CS(=O)(=O)O

InChI

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