[(2S,3S,4S,7R)-3-acetyloxy-7-(hydroxymethyl)-2-methoxy-oxepan-4-yl] ethanoate

Systemtic Name: [(2S,3S,4S,7R)-3-acetyloxy-7-(hydroxymethyl)-2-methoxy-oxepan-4-yl] ethanoate Openeye Name: [(2S,3S,4S,7R)-3-acetoxy-7-(hydroxymethyl)-2-methoxy-oxepan-4-yl] acetate CAS Name: acetic acid [(2S,3S,4S,7R)-3-acetyloxy-7-(hydroxymethyl)-2-methoxy-4-oxepanyl] ester IUPAC Name: [(2S,3S,4S,7R)-3-acetyloxy-7-(hydroxymethyl)-2-methoxyoxepan-4-yl] acetate Traditional Name: acetic acid [(2S,3S,4S,7R)-3-acetoxy-2-methoxy-7-methylol-oxepan-4-yl] ester Formula: C12H20O7 MolecularWeight: 276.283

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CCC(OC(C1OC(=O)C)OC)CO

Isomeric SMILES

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

InChI

InChI=1S/C12H20O7/c1-7(14)17-10-5-4-9(6-13)19-12(16-3)11(10)18-8(2)15/h9-13H,4-6H2,1-3H3/t9-,10+,11+,12+/m1/s1