2-methyl-1-(2-methylsulfonylphenyl)-2-oxidanyl-butan-1-one

Systemtic Name: 2-methyl-1-(2-methylsulfonylphenyl)-2-oxidanyl-butan-1-one Openeye Name: 2-hydroxy-2-methyl-1-(2-methylsulfonylphenyl)butan-1-one CAS Name: 2-hydroxy-2-methyl-1-(2-methylsulfonylphenyl)-1-butanone IUPAC Name: 2-hydroxy-2-methyl-1-(2-methylsulfonylphenyl)butan-1-one Traditional Name: 2-hydroxy-1-(2-mesylphenyl)-2-methyl-butan-1-one Formula: C12H16O4S MolecularWeight: 256.31804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C(=O)C1=CC=CC=C1S(=O)(=O)C)O

Isomeric SMILES

CCC(C)(C(=O)C1=CC=CC=C1S(=O)(=O)C)O

InChI

InChI=1S/C12H16O4S/c1-4-12(2,14)11(13)9-7-5-6-8-10(9)17(3,15)16/h5-8,14H,4H2,1-3H3