(E,5S,6R)-5-methoxy-2,2-dimethyl-6-phenylsulfanyl-non-7-en-3-one

Systemtic Name: (E,5S,6R)-5-methoxy-2,2-dimethyl-6-phenylsulfanyl-non-7-en-3-one Openeye Name: (E,5S,6R)-5-methoxy-2,2-dimethyl-6-phenylsulfanyl-non-7-en-3-one CAS Name: (E,5S,6R)-5-methoxy-2,2-dimethyl-6-(phenylthio)-7-nonen-3-one IUPAC Name: (E,5S,6R)-5-methoxy-2,2-dimethyl-6-phenylsulfanylnon-7-en-3-one Traditional Name: (E,5S,6R)-5-methoxy-2,2-dimethyl-6-(phenylthio)non-7-en-3-one Formula: C18H26O2S MolecularWeight: 306.46284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26O2S/c1-6-10-16(21-14-11-8-7-9-12-14)15(20-5)13-17(19)18(2,3)4/h6-12,15-16H,13H2,1-5H3/b10-6+/t15-,16+/m0/s1