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

Systemtic Name: [(2S,3S,4S,5R,6S)-2-(bromomethyl)-6-methoxy-3-oxidanyl-5-(phenylcarbonyloxy)oxan-4-yl] benzoate Openeye Name: [(2S,3S,4S,5R,6S)-5-benzoyloxy-2-(bromomethyl)-3-hydroxy-6-methoxy-tetrahydropyran-4-yl] benzoate CAS Name: benzoic acid [(2S,3S,4S,5R,6S)-5-benzoyloxy-2-(bromomethyl)-3-hydroxy-6-methoxy-4-oxanyl] ester IUPAC Name: [(2S,3S,4S,5R,6S)-5-benzoyloxy-2-(bromomethyl)-3-hydroxy-6-methoxyoxan-4-yl] benzoate Traditional Name: benzoic acid [(2S,3S,4S,5R,6S)-5-benzoyloxy-2-(bromomethyl)-3-hydroxy-6-methoxy-tetrahydropyran-4-yl] ester Formula: C21H21BrO7 MolecularWeight: 465.29124

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Descriptors Computed from Structure

Canonical SMILES:

COC1C(C(C(C(O1)CBr)O)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3

Isomeric SMILES

CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CBr)O)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H21BrO7/c1-26-21-18(29-20(25)14-10-6-3-7-11-14)17(16(23)15(12-22)27-21)28-19(24)13-8-4-2-5-9-13/h2-11,15-18,21,23H,12H2,1H3/t15-,16-,17+,18-,21+/m1/s1