[2-(bromomethyl)-6-methoxy-3-methylsulfonyloxy-5-(phenylcarbonyloxy)oxan-4-yl] benzoate

Systemtic Name: [2-(bromomethyl)-6-methoxy-3-methylsulfonyloxy-5-(phenylcarbonyloxy)oxan-4-yl] benzoate Openeye Name: [5-benzoyloxy-2-(bromomethyl)-6-methoxy-3-methylsulfonyloxy-tetrahydropyran-4-yl] benzoate CAS Name: benzoic acid [5-benzoyloxy-2-(bromomethyl)-6-methoxy-3-methylsulfonyloxy-4-oxanyl] ester IUPAC Name: [5-benzoyloxy-2-(bromomethyl)-6-methoxy-3-methylsulfonyloxyoxan-4-yl] benzoate Traditional Name: benzoic acid [5-benzoyloxy-2-(bromomethyl)-6-methoxy-3-methylsulfonyloxy-tetrahydropyran-4-yl] ester Formula: C22H23BrO9S MolecularWeight: 543.38162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23BrO9S/c1-28-22-19(31-21(25)15-11-7-4-8-12-15)18(30-20(24)14-9-5-3-6-10-14)17(16(13-23)29-22)32-33(2,26)27/h3-12,16-19,22H,13H2,1-2H3