(5R,6R)-5-methoxy-2,2-dimethyl-6-phenylsulfanyl-heptan-3-one

Systemtic Name: (5R,6R)-5-methoxy-2,2-dimethyl-6-phenylsulfanyl-heptan-3-one Openeye Name: (5R,6R)-5-methoxy-2,2-dimethyl-6-phenylsulfanyl-heptan-3-one CAS Name: (5R,6R)-5-methoxy-2,2-dimethyl-6-(phenylthio)-3-heptanone IUPAC Name: (5R,6R)-5-methoxy-2,2-dimethyl-6-phenylsulfanylheptan-3-one Traditional Name: (5R,6R)-5-methoxy-2,2-dimethyl-6-(phenylthio)heptan-3-one Formula: C16H24O2S MolecularWeight: 280.42556

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CC(=O)C(C)(C)C)OC)SC1=CC=CC=C1

Isomeric SMILES

C[C@H]([C@@H](CC(=O)C(C)(C)C)OC)SC1=CC=CC=C1

InChI

InChI=1S/C16H24O2S/c1-12(19-13-9-7-6-8-10-13)14(18-5)11-15(17)16(2,3)4/h6-10,12,14H,11H2,1-5H3/t12-,14-/m1/s1