3-methyl-1-(4-methylsulfonylphenyl)-3-oxidanyl-butan-2-one

Systemtic Name: 3-methyl-1-(4-methylsulfonylphenyl)-3-oxidanyl-butan-2-one Openeye Name: 3-hydroxy-3-methyl-1-(4-methylsulfonylphenyl)butan-2-one CAS Name: 3-hydroxy-3-methyl-1-(4-methylsulfonylphenyl)-2-butanone IUPAC Name: 3-hydroxy-3-methyl-1-(4-methylsulfonylphenyl)butan-2-one Traditional Name: 3-hydroxy-1-(4-mesylphenyl)-3-methyl-butan-2-one Formula: C12H16O4S MolecularWeight: 256.31804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)CC1=CC=C(C=C1)S(=O)(=O)C)O

Isomeric SMILES

CC(C)(C(=O)CC1=CC=C(C=C1)S(=O)(=O)C)O

InChI

InChI=1S/C12H16O4S/c1-12(2,14)11(13)8-9-4-6-10(7-5-9)17(3,15)16/h4-7,14H,8H2,1-3H3