(3S,4R,5S)-3-methyl-4-phenylsulfanyl-5-propyl-oxolan-2-one

Systemtic Name: (3S,4R,5S)-3-methyl-4-phenylsulfanyl-5-propyl-oxolan-2-one Openeye Name: (3S,4R,5S)-3-methyl-4-phenylsulfanyl-5-propyl-tetrahydrofuran-2-one CAS Name: (3S,4R,5S)-3-methyl-4-(phenylthio)-5-propyl-2-oxolanone IUPAC Name: (3S,4R,5S)-3-methyl-4-phenylsulfanyl-5-propyloxolan-2-one Traditional Name: (3S,4R,5S)-3-methyl-4-(phenylthio)-5-propyl-tetrahydrofuran-2-one Formula: C14H18O2S MolecularWeight: 250.35652

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1C(C(C(=O)O1)C)SC2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C14H18O2S/c1-3-7-12-13(10(2)14(15)16-12)17-11-8-5-4-6-9-11/h4-6,8-10,12-13H,3,7H2,1-2H3/t10-,12+,13-/m1/s1