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

Systemtic Name: [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-heptylsulfanyl-oxan-2-yl]methyl ethanoate Openeye Name: [(2R,3R,4S,5R,6S)-3,4,5-triacetoxy-6-heptylsulfanyl-tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-(heptylthio)-2-oxanyl]methyl ester IUPAC Name: [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-heptylsulfanyloxan-2-yl]methyl acetate Traditional Name: acetic acid [(2R,3R,4S,5R,6S)-3,4,5-triacetoxy-6-(heptylthio)tetrahydropyran-2-yl]methyl ester Formula: C21H34O9S MolecularWeight: 462.55426

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCSC1C(C(C(C(O1)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C21H34O9S/c1-6-7-8-9-10-11-31-21-20(29-16(5)25)19(28-15(4)24)18(27-14(3)23)17(30-21)12-26-13(2)22/h17-21H,6-12H2,1-5H3/t17-,18-,19+,20-,21+/m1/s1