[(3S,4R,5R,6S)-5-acetyloxy-3,6-bis(oxidanyl)thiepan-4-yl] ethanoate

Systemtic Name: [(3S,4R,5R,6S)-5-acetyloxy-3,6-bis(oxidanyl)thiepan-4-yl] ethanoate Openeye Name: [(3S,4R,5R,6S)-5-acetoxy-3,6-dihydroxy-thiepan-4-yl] acetate CAS Name: acetic acid [(3S,4R,5R,6S)-5-acetyloxy-3,6-dihydroxy-4-thiepanyl] ester IUPAC Name: [(3S,4R,5R,6S)-5-acetyloxy-3,6-dihydroxythiepan-4-yl] acetate Traditional Name: acetic acid [(3S,4R,5R,6S)-5-acetoxy-3,6-dihydroxy-thiepan-4-yl] ester Formula: C10H16O6S MolecularWeight: 264.29544

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(CSCC(C1OC(=O)C)O)O

Isomeric SMILES

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

InChI

InChI=1S/C10H16O6S/c1-5(11)15-9-7(13)3-17-4-8(14)10(9)16-6(2)12/h7-10,13-14H,3-4H2,1-2H3/t7-,8-,9-,10-/m1/s1