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

Systemtic Name: [3-bromanyl-2-(bromomethyl)-6-methoxy-5-(phenylcarbonyloxy)oxan-4-yl] benzoate Openeye Name: [5-benzoyloxy-3-bromo-2-(bromomethyl)-6-methoxy-tetrahydropyran-4-yl] benzoate CAS Name: benzoic acid [5-benzoyloxy-3-bromo-2-(bromomethyl)-6-methoxy-4-oxanyl] ester IUPAC Name: [5-benzoyloxy-3-bromo-2-(bromomethyl)-6-methoxyoxan-4-yl] benzoate Traditional Name: benzoic acid [5-benzoyloxy-3-bromo-2-(bromomethyl)-6-methoxy-tetrahydropyran-4-yl] ester Formula: C21H20Br2O6 MolecularWeight: 528.1879

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20Br2O6/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/h2-11,15-18,21H,12H2,1H3