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

Systemtic Name: [(E,2S)-6-methoxy-6-oxidanylidene-hex-4-en-2-yl] 4-bromanylbenzoate Openeye Name: [(E,1S)-5-methoxy-1-methyl-5-oxo-pent-3-enyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [(E,2S)-6-methoxy-6-oxohex-4-en-2-yl] ester IUPAC Name: [(E,2S)-6-methoxy-6-oxohex-4-en-2-yl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [(E,1S)-5-keto-5-methoxy-1-methyl-pent-3-enyl] ester Formula: C14H15BrO4 MolecularWeight: 327.1705

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15BrO4/c1-10(4-3-5-13(16)18-2)19-14(17)11-6-8-12(15)9-7-11/h3,5-10H,4H2,1-2H3/b5-3+/t10-/m0/s1