[2-(bromomethyl)-6-methoxy-3-(phenylcarbonyloxy)oxan-4-yl] benzoate

Systemtic Name: [2-(bromomethyl)-6-methoxy-3-(phenylcarbonyloxy)oxan-4-yl] benzoate Openeye Name: [3-benzoyloxy-2-(bromomethyl)-6-methoxy-tetrahydropyran-4-yl] benzoate CAS Name: benzoic acid [3-benzoyloxy-2-(bromomethyl)-6-methoxy-4-oxanyl] ester IUPAC Name: [3-benzoyloxy-2-(bromomethyl)-6-methoxyoxan-4-yl] benzoate Traditional Name: benzoic acid [3-benzoyloxy-2-(bromomethyl)-6-methoxy-tetrahydropyran-4-yl] ester Formula: C21H21BrO6 MolecularWeight: 449.29184

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Descriptors Computed from Structure

Canonical SMILES:

COC1CC(C(C(O1)CBr)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3

Isomeric SMILES

COC1CC(C(C(O1)CBr)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H21BrO6/c1-25-18-12-16(27-20(23)14-8-4-2-5-9-14)19(17(13-22)26-18)28-21(24)15-10-6-3-7-11-15/h2-11,16-19H,12-13H2,1H3