methyl 2-[(2S,3S,4R)-4-methyl-2-octyl-5-oxidanylidene-4-phenylsulfanyl-oxolan-3-yl]ethanoate

Systemtic Name: methyl 2-[(2S,3S,4R)-4-methyl-2-octyl-5-oxidanylidene-4-phenylsulfanyl-oxolan-3-yl]ethanoate Openeye Name: methyl 2-[(2S,3S,4R)-4-methyl-2-octyl-5-oxo-4-phenylsulfanyl-tetrahydrofuran-3-yl]acetate CAS Name: 2-[(2S,3S,4R)-4-methyl-2-octyl-5-oxo-4-(phenylthio)-3-oxolanyl]acetic acid methyl ester IUPAC Name: methyl 2-[(2S,3S,4R)-4-methyl-2-octyl-5-oxo-4-phenylsulfanyloxolan-3-yl]acetate Traditional Name: 2-[(2S,3S,4R)-5-keto-4-methyl-2-octyl-4-(phenylthio)tetrahydrofuran-3-yl]acetic acid methyl ester Formula: C22H32O4S MolecularWeight: 392.55208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32O4S/c1-4-5-6-7-8-12-15-19-18(16-20(23)25-3)22(2,21(24)26-19)27-17-13-10-9-11-14-17/h9-11,13-14,18-19H,4-8,12,15-16H2,1-3H3/t18-,19-,22+/m0/s1