(3E)-3-[(2,6-dimethylphenyl)methylidene]-4-oxidanylidene-pentanoic acid

Systemtic Name: (3E)-3-[(2,6-dimethylphenyl)methylidene]-4-oxidanylidene-pentanoic acid Openeye Name: (3E)-3-[(2,6-dimethylphenyl)methylene]-4-oxo-pentanoic acid CAS Name: (3E)-3-[(2,6-dimethylphenyl)methylidene]-4-oxopentanoic acid IUPAC Name: (3E)-3-[(2,6-dimethylphenyl)methylidene]-4-oxopentanoic acid Traditional Name: (E)-3-acetyl-4-(2,6-dimethylphenyl)but-3-enoic acid Formula: C14H16O3 MolecularWeight: 232.27504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16O3/c1-9-5-4-6-10(2)13(9)7-12(11(3)15)8-14(16)17/h4-7H,8H2,1-3H3,(H,16,17)/b12-7+