(3E)-4-oxidanylidene-3-(phenylmethylidene)pentanoic acid

Systemtic Name: (3E)-4-oxidanylidene-3-(phenylmethylidene)pentanoic acid Openeye Name: (3E)-3-benzylidene-4-oxo-pentanoic acid CAS Name: (3E)-4-oxo-3-(phenylmethylene)pentanoic acid IUPAC Name: (3E)-3-benzylidene-4-oxopentanoic acid Traditional Name: (E)-3-acetyl-4-phenyl-but-3-enoic acid Formula: C12H12O3 MolecularWeight: 204.22188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12O3/c1-9(13)11(8-12(14)15)7-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,14,15)/b11-7+