methyl (E,5S,6S)-5,7-dimethyl-6-phenylsulfanyl-oct-3-enoate

Systemtic Name: methyl (E,5S,6S)-5,7-dimethyl-6-phenylsulfanyl-oct-3-enoate Openeye Name: methyl (E,5S,6S)-5,7-dimethyl-6-phenylsulfanyl-oct-3-enoate CAS Name: (E,5S,6S)-5,7-dimethyl-6-(phenylthio)-3-octenoic acid methyl ester IUPAC Name: methyl (E,5S,6S)-5,7-dimethyl-6-phenylsulfanyloct-3-enoate Traditional Name: (E,5S,6S)-5,7-dimethyl-6-(phenylthio)oct-3-enoic acid methyl ester Formula: C17H24O2S MolecularWeight: 292.43626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24O2S/c1-13(2)17(20-15-10-6-5-7-11-15)14(3)9-8-12-16(18)19-4/h5-11,13-14,17H,12H2,1-4H3/b9-8+/t14-,17-/m0/s1