(5S,6R)-5-methoxy-2,2-dimethyl-6-phenyl-6-phenylsulfanyl-hexan-3-one

Systemtic Name: (5S,6R)-5-methoxy-2,2-dimethyl-6-phenyl-6-phenylsulfanyl-hexan-3-one Openeye Name: (5S,6R)-5-methoxy-2,2-dimethyl-6-phenyl-6-phenylsulfanyl-hexan-3-one CAS Name: (5S,6R)-5-methoxy-2,2-dimethyl-6-phenyl-6-(phenylthio)-3-hexanone IUPAC Name: (5S,6R)-5-methoxy-2,2-dimethyl-6-phenyl-6-phenylsulfanylhexan-3-one Traditional Name: (5S,6R)-5-methoxy-2,2-dimethyl-6-phenyl-6-(phenylthio)hexan-3-one Formula: C21H26O2S MolecularWeight: 342.49494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)(C)C(=O)C[C@@H]([C@@H](C1=CC=CC=C1)SC2=CC=CC=C2)OC

InChI

InChI=1S/C21H26O2S/c1-21(2,3)19(22)15-18(23-4)20(16-11-7-5-8-12-16)24-17-13-9-6-10-14-17/h5-14,18,20H,15H2,1-4H3/t18-,20+/m0/s1