(2E)-4-acetyloxy-3-oxidanylidene-2-(phenylmethylidene)butanoic acid

Systemtic Name: (2E)-4-acetyloxy-3-oxidanylidene-2-(phenylmethylidene)butanoic acid Openeye Name: (2E)-4-acetoxy-2-benzylidene-3-oxo-butanoic acid CAS Name: (2E)-4-acetyloxy-3-oxo-2-(phenylmethylene)butanoic acid IUPAC Name: (2E)-4-acetyloxy-2-benzylidene-3-oxobutanoic acid Traditional Name: (E)-2-(2-acetoxyacetyl)-3-phenyl-acrylic acid Formula: C13H12O5 MolecularWeight: 248.23138

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(=O)C(=CC1=CC=CC=C1)C(=O)O

Isomeric SMILES

CC(=O)OCC(=O)/C(=C\C1=CC=CC=C1)/C(=O)O

InChI

InChI=1S/C13H12O5/c1-9(14)18-8-12(15)11(13(16)17)7-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,16,17)/b11-7+