[(3R,4S,5R,6R)-4-(4-bromophenyl)carbonyloxy-5,6-dimethoxy-oxan-3-yl] 4-bromanylbenzoate

Systemtic Name: [(3R,4S,5R,6R)-4-(4-bromophenyl)carbonyloxy-5,6-dimethoxy-oxan-3-yl] 4-bromanylbenzoate Openeye Name: [(3R,4S,5R,6R)-4-(4-bromobenzoyl)oxy-5,6-dimethoxy-tetrahydropyran-3-yl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [(3R,4S,5R,6R)-4-[(4-bromophenyl)-oxomethoxy]-5,6-dimethoxy-3-oxanyl] ester IUPAC Name: [(3R,4S,5R,6R)-4-(4-bromobenzoyl)oxy-5,6-dimethoxyoxan-3-yl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [(3R,4S,5R,6R)-4-(4-bromobenzoyl)oxy-5,6-dimethoxy-tetrahydropyran-3-yl] ester Formula: C21H20Br2O7 MolecularWeight: 544.1873

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Descriptors Computed from Structure

Canonical SMILES:

COC1C(C(COC1OC)OC(=O)C2=CC=C(C=C2)Br)OC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

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

InChI

InChI=1S/C21H20Br2O7/c1-26-18-17(30-20(25)13-5-9-15(23)10-6-13)16(11-28-21(18)27-2)29-19(24)12-3-7-14(22)8-4-12/h3-10,16-18,21H,11H2,1-2H3/t16-,17+,18-,21-/m1/s1