[(3Z)-3-ethanoyl-4-oxidanyl-penta-1,3-dien-2-yl] 4-bromanylbenzoate

Systemtic Name: [(3Z)-3-ethanoyl-4-oxidanyl-penta-1,3-dien-2-yl] 4-bromanylbenzoate Openeye Name: [(Z)-2-acetyl-3-hydroxy-1-methylene-but-2-enyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [(3Z)-3-acetyl-4-hydroxypenta-1,3-dien-2-yl] ester IUPAC Name: [(3Z)-3-acetyl-4-hydroxypenta-1,3-dien-2-yl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [(Z)-2-acetyl-3-hydroxy-1-methylene-but-2-enyl] ester Formula: C14H13BrO4 MolecularWeight: 325.15462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13BrO4/c1-8(16)13(9(2)17)10(3)19-14(18)11-4-6-12(15)7-5-11/h4-7,16H,3H2,1-2H3/b13-8+