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

Systemtic Name: methyl (E,5S,6R)-5,7,7-trimethyl-6-phenylsulfanyl-oct-3-enoate Openeye Name: methyl (E,5S,6R)-5,7,7-trimethyl-6-phenylsulfanyl-oct-3-enoate CAS Name: (E,5S,6R)-5,7,7-trimethyl-6-(phenylthio)-3-octenoic acid methyl ester IUPAC Name: methyl (E,5S,6R)-5,7,7-trimethyl-6-phenylsulfanyloct-3-enoate Traditional Name: (E,5S,6R)-5,7,7-trimethyl-6-(phenylthio)oct-3-enoic acid methyl ester Formula: C18H26O2S MolecularWeight: 306.46284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26O2S/c1-14(10-9-13-16(19)20-5)17(18(2,3)4)21-15-11-7-6-8-12-15/h6-12,14,17H,13H2,1-5H3/b10-9+/t14-,17+/m0/s1