(3E)-3-[(4-methylphenyl)methylidene]-4-oxidanylidene-pentanoic acid

Systemtic Name: (3E)-3-[(4-methylphenyl)methylidene]-4-oxidanylidene-pentanoic acid Openeye Name: (3E)-4-oxo-3-(p-tolylmethylene)pentanoic acid CAS Name: (3E)-3-[(4-methylphenyl)methylidene]-4-oxopentanoic acid IUPAC Name: (3E)-3-[(4-methylphenyl)methylidene]-4-oxopentanoic acid Traditional Name: (E)-3-acetyl-4-(p-tolyl)but-3-enoic acid Formula: C13H14O3 MolecularWeight: 218.24846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14O3/c1-9-3-5-11(6-4-9)7-12(10(2)14)8-13(15)16/h3-7H,8H2,1-2H3,(H,15,16)/b12-7+