[(E)-6-oxidanyl-2,4-bis(oxidanylidene)hex-5-en-3-yl] benzoate

Systemtic Name: [(E)-6-oxidanyl-2,4-bis(oxidanylidene)hex-5-en-3-yl] benzoate Openeye Name: [(E)-1-acetyl-4-hydroxy-2-oxo-but-3-enyl] benzoate CAS Name: benzoic acid [(E)-6-hydroxy-2,4-dioxohex-5-en-3-yl] ester IUPAC Name: [(E)-6-hydroxy-2,4-dioxohex-5-en-3-yl] benzoate Traditional Name: benzoic acid [(E)-1-acetyl-4-hydroxy-2-keto-but-3-enyl] ester Formula: C13H12O5 MolecularWeight: 248.23138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12O5/c1-9(15)12(11(16)7-8-14)18-13(17)10-5-3-2-4-6-10/h2-8,12,14H,1H3/b8-7+