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

Systemtic Name: methyl 2-[(2R,3R,4R)-4-methyl-5-oxidanylidene-4-phenylsulfanyl-2-tridecyl-oxolan-3-yl]ethanoate Openeye Name: methyl 2-[(2R,3R,4R)-4-methyl-5-oxo-4-phenylsulfanyl-2-tridecyl-tetrahydrofuran-3-yl]acetate CAS Name: 2-[(2R,3R,4R)-4-methyl-5-oxo-4-(phenylthio)-2-tridecyl-3-oxolanyl]acetic acid methyl ester IUPAC Name: methyl 2-[(2R,3R,4R)-4-methyl-5-oxo-4-phenylsulfanyl-2-tridecyloxolan-3-yl]acetate Traditional Name: 2-[(2R,3R,4R)-5-keto-4-methyl-4-(phenylthio)-2-tridecyl-tetrahydrofuran-3-yl]acetic acid methyl ester Formula: C27H42O4S MolecularWeight: 462.68498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC1C(C(C(=O)O1)(C)SC2=CC=CC=C2)CC(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C27H42O4S/c1-4-5-6-7-8-9-10-11-12-13-17-20-24-23(21-25(28)30-3)27(2,26(29)31-24)32-22-18-15-14-16-19-22/h14-16,18-19,23-24H,4-13,17,20-21H2,1-3H3/t23-,24-,27-/m1/s1