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

Systemtic Name: [(2S,3R,4R,5S,6R)-4,5-diacetyloxy-2-methyl-6-sulfanyl-oxan-3-yl] ethanoate Openeye Name: [(2S,3R,4R,5S,6R)-4,5-diacetoxy-2-methyl-6-sulfanyl-tetrahydropyran-3-yl] acetate CAS Name: acetic acid [(2S,3R,4R,5S,6R)-4,5-diacetyloxy-6-mercapto-2-methyl-3-oxanyl] ester IUPAC Name: [(2S,3R,4R,5S,6R)-4,5-diacetyloxy-2-methyl-6-sulfanyloxan-3-yl] acetate Traditional Name: acetic acid [(2S,3R,4R,5S,6R)-4,5-diacetoxy-6-mercapto-2-methyl-tetrahydropyran-3-yl] ester Formula: C12H18O7S MolecularWeight: 306.33212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)S)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C12H18O7S/c1-5-9(17-6(2)13)10(18-7(3)14)11(12(20)16-5)19-8(4)15/h5,9-12,20H,1-4H3/t5-,9+,10+,11-,12+/m0/s1