[(3S,4S,5S,6R)-4,5,6-triacetyloxythiepan-3-yl] ethanoate

Systemtic Name: [(3S,4S,5S,6R)-4,5,6-triacetyloxythiepan-3-yl] ethanoate Openeye Name: [(3S,4S,5S,6R)-4,5,6-triacetoxythiepan-3-yl] acetate CAS Name: acetic acid [(3S,4S,5S,6R)-4,5,6-triacetyloxy-3-thiepanyl] ester IUPAC Name: [(3S,4S,5S,6R)-4,5,6-triacetyloxythiepan-3-yl] acetate Traditional Name: acetic acid [(3S,4S,5S,6R)-4,5,6-triacetoxythiepan-3-yl] ester Formula: C14H20O8S MolecularWeight: 348.3688

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CSCC(C(C1OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)O[C@@H]1CSC[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C14H20O8S/c1-7(15)19-11-5-23-6-12(20-8(2)16)14(22-10(4)18)13(11)21-9(3)17/h11-14H,5-6H2,1-4H3/t11-,12+,13-,14-/m1/s1