(3S,4R)-3-phenylsulfanyl-4-propan-2-yl-cyclohexan-1-one

Systemtic Name: (3S,4R)-3-phenylsulfanyl-4-propan-2-yl-cyclohexan-1-one Openeye Name: (3S,4R)-4-isopropyl-3-phenylsulfanyl-cyclohexanone CAS Name: (3S,4R)-3-(phenylthio)-4-propan-2-yl-1-cyclohexanone IUPAC Name: (3S,4R)-3-phenylsulfanyl-4-propan-2-ylcyclohexan-1-one Traditional Name: (3S,4R)-4-isopropyl-3-(phenylthio)cyclohexanone Formula: C15H20OS MolecularWeight: 248.3837

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1CCC(=O)CC1SC2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C15H20OS/c1-11(2)14-9-8-12(16)10-15(14)17-13-6-4-3-5-7-13/h3-7,11,14-15H,8-10H2,1-2H3/t14-,15+/m1/s1