3-methyl-1-(4-methylsulfanylphenyl)-3-oxidanyl-butan-1-one

Systemtic Name: 3-methyl-1-(4-methylsulfanylphenyl)-3-oxidanyl-butan-1-one Openeye Name: 3-hydroxy-3-methyl-1-(4-methylsulfanylphenyl)butan-1-one CAS Name: 3-hydroxy-3-methyl-1-[4-(methylthio)phenyl]-1-butanone IUPAC Name: 3-hydroxy-3-methyl-1-(4-methylsulfanylphenyl)butan-1-one Traditional Name: 3-hydroxy-3-methyl-1-[4-(methylthio)phenyl]butan-1-one Formula: C12H16O2S MolecularWeight: 224.31924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(=O)C1=CC=C(C=C1)SC)O

Isomeric SMILES

CC(C)(CC(=O)C1=CC=C(C=C1)SC)O

InChI

InChI=1S/C12H16O2S/c1-12(2,14)8-11(13)9-4-6-10(15-3)7-5-9/h4-7,14H,8H2,1-3H3