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

Systemtic Name: methyl 2-[(2R,3R,4S)-2-hexyl-3-methyl-5-oxidanylidene-4-phenylsulfanyl-oxolan-3-yl]ethanoate Openeye Name: methyl 2-[(2R,3R,4S)-2-hexyl-3-methyl-5-oxo-4-phenylsulfanyl-tetrahydrofuran-3-yl]acetate CAS Name: 2-[(2R,3R,4S)-2-hexyl-3-methyl-5-oxo-4-(phenylthio)-3-oxolanyl]acetic acid methyl ester IUPAC Name: methyl 2-[(2R,3R,4S)-2-hexyl-3-methyl-5-oxo-4-phenylsulfanyloxolan-3-yl]acetate Traditional Name: 2-[(2R,3R,4S)-2-hexyl-5-keto-3-methyl-4-(phenylthio)tetrahydrofuran-3-yl]acetic acid methyl ester Formula: C20H28O4S MolecularWeight: 364.49892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1C(C(C(=O)O1)SC2=CC=CC=C2)(C)CC(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H28O4S/c1-4-5-6-10-13-16-20(2,14-17(21)23-3)18(19(22)24-16)25-15-11-8-7-9-12-15/h7-9,11-12,16,18H,4-6,10,13-14H2,1-3H3/t16-,18-,20-/m1/s1