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

Systemtic Name: (phenylmethyl) (2R)-2-[(2S,3S,4S)-4-methyl-2-octyl-5-oxidanylidene-4-phenylsulfanyl-oxolan-3-yl]-2-oxidanyl-ethanoate Openeye Name: benzyl (2R)-2-hydroxy-2-[(2S,3S,4S)-4-methyl-2-octyl-5-oxo-4-phenylsulfanyl-tetrahydrofuran-3-yl]acetate CAS Name: (2R)-2-hydroxy-2-[(2S,3S,4S)-4-methyl-2-octyl-5-oxo-4-(phenylthio)-3-oxolanyl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl (2R)-2-hydroxy-2-[(2S,3S,4S)-4-methyl-2-octyl-5-oxo-4-phenylsulfanyloxolan-3-yl]acetate Traditional Name: (2R)-2-hydroxy-2-[(2S,3S,4S)-5-keto-4-methyl-2-octyl-4-(phenylthio)tetrahydrofuran-3-yl]acetic acid benzyl ester Formula: C28H36O5S MolecularWeight: 484.64744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H36O5S/c1-3-4-5-6-7-14-19-23-24(25(29)26(30)32-20-21-15-10-8-11-16-21)28(2,27(31)33-23)34-22-17-12-9-13-18-22/h8-13,15-18,23-25,29H,3-7,14,19-20H2,1-2H3/t23-,24+,25+,28-/m0/s1