[(4E)-4-(bromanylmethylidene)-5-oxidanylidene-hexyl] benzoate

Systemtic Name: [(4E)-4-(bromanylmethylidene)-5-oxidanylidene-hexyl] benzoate Openeye Name: [(4E)-4-(bromomethylene)-5-oxo-hexyl] benzoate CAS Name: benzoic acid [(4E)-4-(bromomethylidene)-5-oxohexyl] ester IUPAC Name: [(4E)-4-(bromomethylidene)-5-oxohexyl] benzoate Traditional Name: benzoic acid [(E)-4-acetyl-5-bromo-pent-4-enyl] ester Formula: C14H15BrO3 MolecularWeight: 311.1711

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=CBr)CCCOC(=O)C1=CC=CC=C1

Isomeric SMILES

CC(=O)/C(=C/Br)/CCCOC(=O)C1=CC=CC=C1

InChI

InChI=1S/C14H15BrO3/c1-11(16)13(10-15)8-5-9-18-14(17)12-6-3-2-4-7-12/h2-4,6-7,10H,5,8-9H2,1H3/b13-10+