methyl (E,5R,6S)-6-cyclohexyl-5-methyl-6-phenylsulfanyl-hex-3-enoate

Systemtic Name: methyl (E,5R,6S)-6-cyclohexyl-5-methyl-6-phenylsulfanyl-hex-3-enoate Openeye Name: methyl (E,5R,6S)-6-cyclohexyl-5-methyl-6-phenylsulfanyl-hex-3-enoate CAS Name: (E,5R,6S)-6-cyclohexyl-5-methyl-6-(phenylthio)-3-hexenoic acid methyl ester IUPAC Name: methyl (E,5R,6S)-6-cyclohexyl-5-methyl-6-phenylsulfanylhex-3-enoate Traditional Name: (E,5R,6S)-6-cyclohexyl-5-methyl-6-(phenylthio)hex-3-enoic acid methyl ester Formula: C20H28O2S MolecularWeight: 332.50012

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Descriptors Computed from Structure

Canonical SMILES:

CC(C=CCC(=O)OC)C(C1CCCCC1)SC2=CC=CC=C2

Isomeric SMILES

C[C@H](/C=C/CC(=O)OC)[C@H](C1CCCCC1)SC2=CC=CC=C2

InChI

InChI=1S/C20H28O2S/c1-16(10-9-15-19(21)22-2)20(17-11-5-3-6-12-17)23-18-13-7-4-8-14-18/h4,7-10,13-14,16-17,20H,3,5-6,11-12,15H2,1-2H3/b10-9+/t16-,20-/m1/s1