[(3S,6S)-3,4,5-triacetyloxy-6-(4-methylphenyl)sulfanyl-oxan-2-yl]methyl ethanoate

Systemtic Name: [(3S,6S)-3,4,5-triacetyloxy-6-(4-methylphenyl)sulfanyl-oxan-2-yl]methyl ethanoate Openeye Name: [(3S,6S)-3,4,5-triacetoxy-6-(p-tolylsulfanyl)tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid [(3S,6S)-3,4,5-triacetyloxy-6-[(4-methylphenyl)thio]-2-oxanyl]methyl ester IUPAC Name: [(3S,6S)-3,4,5-triacetyloxy-6-(4-methylphenyl)sulfanyloxan-2-yl]methyl acetate Traditional Name: acetic acid [(3S,6S)-3,4,5-triacetoxy-6-(p-tolylthio)tetrahydropyran-2-yl]methyl ester Formula: C21H26O9S MolecularWeight: 454.49074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S[C@H]2C(C([C@H](C(O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C21H26O9S/c1-11-6-8-16(9-7-11)31-21-20(29-15(5)25)19(28-14(4)24)18(27-13(3)23)17(30-21)10-26-12(2)22/h6-9,17-21H,10H2,1-5H3/t17?,18-,19?,20?,21-/m0/s1