[(E)-1-oxidanyl-3,5-bis(oxidanylidene)hept-1-en-4-yl] benzoate

Systemtic Name: [(E)-1-oxidanyl-3,5-bis(oxidanylidene)hept-1-en-4-yl] benzoate Openeye Name: [(E)-4-hydroxy-2-oxo-1-propanoyl-but-3-enyl] benzoate CAS Name: benzoic acid [(E)-1-hydroxy-3,5-dioxohept-1-en-4-yl] ester IUPAC Name: [(E)-1-hydroxy-3,5-dioxohept-1-en-4-yl] benzoate Traditional Name: benzoic acid [(E)-4-hydroxy-2-keto-1-propionyl-but-3-enyl] ester Formula: C14H14O5 MolecularWeight: 262.25796

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(C(=O)C=CO)OC(=O)C1=CC=CC=C1

Isomeric SMILES

CCC(=O)C(C(=O)/C=C/O)OC(=O)C1=CC=CC=C1

InChI

InChI=1S/C14H14O5/c1-2-11(16)13(12(17)8-9-15)19-14(18)10-6-4-3-5-7-10/h3-9,13,15H,2H2,1H3/b9-8+