[(E,2S,3R)-3-(4-bromophenyl)carbonyloxy-6-methoxy-6-oxidanylidene-hex-4-en-2-yl] 4-bromanylbenzoate

Systemtic Name: [(E,2S,3R)-3-(4-bromophenyl)carbonyloxy-6-methoxy-6-oxidanylidene-hex-4-en-2-yl] 4-bromanylbenzoate Openeye Name: [(E,1S,2R)-2-(4-bromobenzoyl)oxy-5-methoxy-1-methyl-5-oxo-pent-3-enyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [(E,2S,3R)-3-[(4-bromophenyl)-oxomethoxy]-6-methoxy-6-oxohex-4-en-2-yl] ester IUPAC Name: [(E,2S,3R)-3-(4-bromobenzoyl)oxy-6-methoxy-6-oxohex-4-en-2-yl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [(E,1S,2R)-2-(4-bromobenzoyl)oxy-5-keto-5-methoxy-1-methyl-pent-3-enyl] ester Formula: C21H18Br2O6 MolecularWeight: 526.17202

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C=CC(=O)OC)OC(=O)C1=CC=C(C=C1)Br)OC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

C[C@@H]([C@@H](/C=C/C(=O)OC)OC(=O)C1=CC=C(C=C1)Br)OC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C21H18Br2O6/c1-13(28-20(25)14-3-7-16(22)8-4-14)18(11-12-19(24)27-2)29-21(26)15-5-9-17(23)10-6-15/h3-13,18H,1-2H3/b12-11+/t13-,18+/m0/s1