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

Systemtic Name: methyl 2-[(2S,3S,4R)-2-octyl-5-oxidanylidene-4-phenylsulfanyl-oxolan-3-yl]ethanoate Openeye Name: methyl 2-[(2S,3S,4R)-2-octyl-5-oxo-4-phenylsulfanyl-tetrahydrofuran-3-yl]acetate CAS Name: 2-[(2S,3S,4R)-2-octyl-5-oxo-4-(phenylthio)-3-oxolanyl]acetic acid methyl ester IUPAC Name: methyl 2-[(2S,3S,4R)-2-octyl-5-oxo-4-phenylsulfanyloxolan-3-yl]acetate Traditional Name: 2-[(2S,3S,4R)-5-keto-2-octyl-4-(phenylthio)tetrahydrofuran-3-yl]acetic acid methyl ester Formula: C21H30O4S MolecularWeight: 378.5255

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30O4S/c1-3-4-5-6-7-11-14-18-17(15-19(22)24-2)20(21(23)25-18)26-16-12-9-8-10-13-16/h8-10,12-13,17-18,20H,3-7,11,14-15H2,1-2H3/t17-,18-,20+/m0/s1