(3R,5S)-5-methyl-3-[7-[(2R)-oxiran-2-yl]heptyl]-3-phenylsulfanyl-oxolan-2-one

Systemtic Name: (3R,5S)-5-methyl-3-[7-[(2R)-oxiran-2-yl]heptyl]-3-phenylsulfanyl-oxolan-2-one Openeye Name: (3R,5S)-5-methyl-3-[7-[(2R)-oxiran-2-yl]heptyl]-3-phenylsulfanyl-tetrahydrofuran-2-one CAS Name: (3R,5S)-5-methyl-3-[7-[(2R)-2-oxiranyl]heptyl]-3-(phenylthio)-2-oxolanone IUPAC Name: (3R,5S)-5-methyl-3-[7-[(2R)-oxiran-2-yl]heptyl]-3-phenylsulfanyloxolan-2-one Traditional Name: (3R,5S)-5-methyl-3-[7-[(2R)-oxiran-2-yl]heptyl]-3-(phenylthio)tetrahydrofuran-2-one Formula: C20H28O3S MolecularWeight: 348.49952

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(=O)O1)(CCCCCCCC2CO2)SC3=CC=CC=C3

Isomeric SMILES

C[C@H]1C[C@@](C(=O)O1)(CCCCCCC[C@@H]2CO2)SC3=CC=CC=C3

InChI

InChI=1S/C20H28O3S/c1-16-14-20(19(21)23-16,24-18-11-7-5-8-12-18)13-9-4-2-3-6-10-17-15-22-17/h5,7-8,11-12,16-17H,2-4,6,9-10,13-15H2,1H3/t16-,17+,20+/m0/s1