[(2R,3R,4S,5R)-3,4,5-triacetyloxy-2-oxidanyl-6-sulfanylidene-hexyl] ethanoate

Systemtic Name: [(2R,3R,4S,5R)-3,4,5-triacetyloxy-2-oxidanyl-6-sulfanylidene-hexyl] ethanoate Openeye Name: [(2R,3R,4S,5R)-3,4,5-triacetoxy-2-hydroxy-6-thioxo-hexyl] acetate CAS Name: acetic acid [(2R,3R,4S,5R)-3,4,5-triacetyloxy-2-hydroxy-6-sulfanylidenehexyl] ester IUPAC Name: [(2R,3R,4S,5R)-3,4,5-triacetyloxy-2-hydroxy-6-sulfanylidenehexyl] acetate Traditional Name: acetic acid [(2R,3R,4S,5R)-3,4,5-triacetoxy-2-hydroxy-6-thioxo-hexyl] ester Formula: C14H20O9S MolecularWeight: 364.3682

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(C(C(C(C=S)OC(=O)C)OC(=O)C)OC(=O)C)O

Isomeric SMILES

CC(=O)OC[C@H]([C@H]([C@@H]([C@H](C=S)OC(=O)C)OC(=O)C)OC(=O)C)O

InChI

InChI=1S/C14H20O9S/c1-7(15)20-5-11(19)13(22-9(3)17)14(23-10(4)18)12(6-24)21-8(2)16/h6,11-14,19H,5H2,1-4H3/t11-,12+,13-,14-/m1/s1