1-[(1S,2S)-1-methyl-2-phenylsulfanyl-cyclohexyl]ethanone

Systemtic Name: 1-[(1S,2S)-1-methyl-2-phenylsulfanyl-cyclohexyl]ethanone Openeye Name: 1-[(1S,2S)-1-methyl-2-phenylsulfanyl-cyclohexyl]ethanone CAS Name: 1-[(1S,2S)-1-methyl-2-(phenylthio)cyclohexyl]ethanone IUPAC Name: 1-[(1S,2S)-1-methyl-2-phenylsulfanylcyclohexyl]ethanone Traditional Name: 1-[(1S,2S)-1-methyl-2-(phenylthio)cyclohexyl]ethanone Formula: C15H20OS MolecularWeight: 248.3837

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1(CCCCC1SC2=CC=CC=C2)C

Isomeric SMILES

CC(=O)[C@@]1(CCCC[C@@H]1SC2=CC=CC=C2)C

InChI

InChI=1S/C15H20OS/c1-12(16)15(2)11-7-6-10-14(15)17-13-8-4-3-5-9-13/h3-5,8-9,14H,6-7,10-11H2,1-2H3/t14-,15-/m0/s1