(4R,5S)-5-octyl-4-phenylsulfanyl-oxolan-2-one

Systemtic Name: (4R,5S)-5-octyl-4-phenylsulfanyl-oxolan-2-one Openeye Name: (4R,5S)-5-octyl-4-phenylsulfanyl-tetrahydrofuran-2-one CAS Name: (4R,5S)-5-octyl-4-(phenylthio)-2-oxolanone IUPAC Name: (4R,5S)-5-octyl-4-phenylsulfanyloxolan-2-one Traditional Name: (4R,5S)-5-octyl-4-(phenylthio)tetrahydrofuran-2-one Formula: C18H26O2S MolecularWeight: 306.46284

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1C(CC(=O)O1)SC2=CC=CC=C2

Isomeric SMILES

CCCCCCCC[C@H]1[C@@H](CC(=O)O1)SC2=CC=CC=C2

InChI

InChI=1S/C18H26O2S/c1-2-3-4-5-6-10-13-16-17(14-18(19)20-16)21-15-11-8-7-9-12-15/h7-9,11-12,16-17H,2-6,10,13-14H2,1H3/t16-,17+/m0/s1