2-methyl-3-oxidanyl-2-phenylsulfanyl-5-prop-1-en-2-yl-cyclohexan-1-one

Systemtic Name: 2-methyl-3-oxidanyl-2-phenylsulfanyl-5-prop-1-en-2-yl-cyclohexan-1-one Openeye Name: 3-hydroxy-5-isopropenyl-2-methyl-2-phenylsulfanyl-cyclohexanone CAS Name: 3-hydroxy-2-methyl-5-(1-methylethenyl)-2-(phenylthio)-1-cyclohexanone IUPAC Name: 3-hydroxy-2-methyl-2-phenylsulfanyl-5-prop-1-en-2-ylcyclohexan-1-one Traditional Name: 3-hydroxy-5-isopropenyl-2-methyl-2-(phenylthio)cyclohexanone Formula: C16H20O2S MolecularWeight: 276.3938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C1CC(C(C(=O)C1)(C)SC2=CC=CC=C2)O

Isomeric SMILES

CC(=C)C1CC(C(C(=O)C1)(C)SC2=CC=CC=C2)O

InChI

InChI=1S/C16H20O2S/c1-11(2)12-9-14(17)16(3,15(18)10-12)19-13-7-5-4-6-8-13/h4-8,12,14,17H,1,9-10H2,2-3H3