4-(2-ethanoyl-3-oxidanylidene-but-1-enyl)benzoate

Systemtic Name: 4-(2-ethanoyl-3-oxidanylidene-but-1-enyl)benzoate Openeye Name: 4-(2-acetyl-3-oxo-but-1-enyl)benzoate CAS Name: 4-(2-acetyl-3-oxobut-1-enyl)benzoate IUPAC Name: 4-(2-acetyl-3-oxobut-1-enyl)benzoate Traditional Name: 4-(2-acetyl-3-keto-but-1-enyl)benzoate Formula: C13H11O4- MolecularWeight: 231.22404

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=CC1=CC=C(C=C1)C(=O)[O-])C(=O)C

Isomeric SMILES

CC(=O)C(=CC1=CC=C(C=C1)C(=O)[O-])C(=O)C

InChI

InChI=1S/C13H12O4/c1-8(14)12(9(2)15)7-10-3-5-11(6-4-10)13(16)17/h3-7H,1-2H3,(H,16,17)/p-1