[(2R,3S,6R)-3-acetyloxy-6-dodecylsulfanyl-3,6-dihydro-2H-pyran-2-yl]methyl ethanoate

Systemtic Name: [(2R,3S,6R)-3-acetyloxy-6-dodecylsulfanyl-3,6-dihydro-2H-pyran-2-yl]methyl ethanoate Openeye Name: [(2R,3S,6R)-3-acetoxy-6-dodecylsulfanyl-3,6-dihydro-2H-pyran-2-yl]methyl acetate CAS Name: acetic acid [(2R,3S,6R)-3-acetyloxy-6-(dodecylthio)-3,6-dihydro-2H-pyran-2-yl]methyl ester IUPAC Name: [(2R,3S,6R)-3-acetyloxy-6-dodecylsulfanyl-3,6-dihydro-2H-pyran-2-yl]methyl acetate Traditional Name: acetic acid [(2R,3S,6R)-3-acetoxy-6-(laurylthio)-3,6-dihydro-2H-pyran-2-yl]methyl ester Formula: C22H38O5S MolecularWeight: 414.59912

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSC1C=CC(C(O1)COC(=O)C)OC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C22H38O5S/c1-4-5-6-7-8-9-10-11-12-13-16-28-22-15-14-20(26-19(3)24)21(27-22)17-25-18(2)23/h14-15,20-22H,4-13,16-17H2,1-3H3/t20-,21+,22+/m0/s1