[(3R)-1-methoxy-1,5-bis(oxidanylidene)hexan-3-yl] 4-bromanylbenzoate

Systemtic Name: [(3R)-1-methoxy-1,5-bis(oxidanylidene)hexan-3-yl] 4-bromanylbenzoate Openeye Name: [(1R)-1-(2-methoxy-2-oxo-ethyl)-3-oxo-butyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [(3R)-1-methoxy-1,5-dioxohexan-3-yl] ester IUPAC Name: [(3R)-1-methoxy-1,5-dioxohexan-3-yl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [(1R)-3-keto-1-(2-keto-2-methoxy-ethyl)butyl] ester Formula: C14H15BrO5 MolecularWeight: 343.1699

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(CC(=O)OC)OC(=O)C1=CC=C(C=C1)Br

Isomeric SMILES

CC(=O)C[C@H](CC(=O)OC)OC(=O)C1=CC=C(C=C1)Br

InChI

InChI=1S/C14H15BrO5/c1-9(16)7-12(8-13(17)19-2)20-14(18)10-3-5-11(15)6-4-10/h3-6,12H,7-8H2,1-2H3/t12-/m1/s1