[(2S,3R,4S,5R,6R)-4,5,6-triacetyloxy-2-(bromomethyl)oxan-3-yl] benzoate

Systemtic Name: [(2S,3R,4S,5R,6R)-4,5,6-triacetyloxy-2-(bromomethyl)oxan-3-yl] benzoate Openeye Name: [(2S,3R,4S,5R,6R)-4,5,6-triacetoxy-2-(bromomethyl)tetrahydropyran-3-yl] benzoate CAS Name: benzoic acid [(2S,3R,4S,5R,6R)-4,5,6-triacetyloxy-2-(bromomethyl)-3-oxanyl] ester IUPAC Name: [(2S,3R,4S,5R,6R)-4,5,6-triacetyloxy-2-(bromomethyl)oxan-3-yl] benzoate Traditional Name: benzoic acid [(2S,3R,4S,5R,6R)-4,5,6-triacetoxy-2-(bromomethyl)tetrahydropyran-3-yl] ester Formula: C19H21BrO9 MolecularWeight: 473.26864

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(C(OC(C1OC(=O)C)OC(=O)C)CBr)OC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(=O)O[C@H]1[C@H]([C@H](O[C@@H]([C@@H]1OC(=O)C)OC(=O)C)CBr)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C19H21BrO9/c1-10(21)25-16-15(29-18(24)13-7-5-4-6-8-13)14(9-20)28-19(27-12(3)23)17(16)26-11(2)22/h4-8,14-17,19H,9H2,1-3H3/t14-,15+,16+,17-,19+/m1/s1