(5S,6R)-5-methoxy-2,2-dimethyl-6-methylsulfanyl-7-phenyl-heptan-3-one

Systemtic Name: (5S,6R)-5-methoxy-2,2-dimethyl-6-methylsulfanyl-7-phenyl-heptan-3-one Openeye Name: (5S,6R)-5-methoxy-2,2-dimethyl-6-methylsulfanyl-7-phenyl-heptan-3-one CAS Name: (5S,6R)-5-methoxy-2,2-dimethyl-6-(methylthio)-7-phenyl-3-heptanone IUPAC Name: (5S,6R)-5-methoxy-2,2-dimethyl-6-methylsulfanyl-7-phenylheptan-3-one Traditional Name: (5S,6R)-5-methoxy-2,2-dimethyl-6-(methylthio)-7-phenyl-heptan-3-one Formula: C17H26O2S MolecularWeight: 294.45214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CC(C(CC1=CC=CC=C1)SC)OC

Isomeric SMILES

CC(C)(C)C(=O)C[C@@H]([C@@H](CC1=CC=CC=C1)SC)OC

InChI

InChI=1S/C17H26O2S/c1-17(2,3)16(18)12-14(19-4)15(20-5)11-13-9-7-6-8-10-13/h6-10,14-15H,11-12H2,1-5H3/t14-,15+/m0/s1