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

Systemtic Name: (phenylmethyl) 2-[(2S,3S,4S)-4-methyl-2-octyl-5-oxidanylidene-4-phenylsulfanyl-oxolan-3-yl]ethanoate Openeye Name: benzyl 2-[(2S,3S,4S)-4-methyl-2-octyl-5-oxo-4-phenylsulfanyl-tetrahydrofuran-3-yl]acetate CAS Name: 2-[(2S,3S,4S)-4-methyl-2-octyl-5-oxo-4-(phenylthio)-3-oxolanyl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(2S,3S,4S)-4-methyl-2-octyl-5-oxo-4-phenylsulfanyloxolan-3-yl]acetate Traditional Name: 2-[(2S,3S,4S)-5-keto-4-methyl-2-octyl-4-(phenylthio)tetrahydrofuran-3-yl]acetic acid benzyl ester Formula: C28H36O4S MolecularWeight: 468.64804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1C(C(C(=O)O1)(C)SC2=CC=CC=C2)CC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCCCCCCC[C@H]1[C@@H]([C@](C(=O)O1)(C)SC2=CC=CC=C2)CC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C28H36O4S/c1-3-4-5-6-7-14-19-25-24(20-26(29)31-21-22-15-10-8-11-16-22)28(2,27(30)32-25)33-23-17-12-9-13-18-23/h8-13,15-18,24-25H,3-7,14,19-21H2,1-2H3/t24-,25-,28-/m0/s1