2-[4-(hydroxymethylsulfonyl)phenyl]-5-methyl-1H-pyrazol-3-one

Systemtic Name: 2-[4-(hydroxymethylsulfonyl)phenyl]-5-methyl-1H-pyrazol-3-one Openeye Name: 2-[4-(hydroxymethylsulfonyl)phenyl]-5-methyl-1H-pyrazol-3-one CAS Name: 2-[4-(hydroxymethylsulfonyl)phenyl]-5-methyl-1H-pyrazol-3-one IUPAC Name: 2-[4-(hydroxymethylsulfonyl)phenyl]-5-methyl-1H-pyrazol-3-one Traditional Name: 5-methyl-2-(4-methylolsulfonylphenyl)-3-pyrazolin-3-one Formula: C11H12N2O4S MolecularWeight: 268.28898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(N1)C2=CC=C(C=C2)S(=O)(=O)CO

Isomeric SMILES

CC1=CC(=O)N(N1)C2=CC=C(C=C2)S(=O)(=O)CO

InChI

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