(E)-4-oxidanylidene-4-(2,4,6-trimethylphenyl)but-2-enoic acid

Systemtic Name: (E)-4-oxidanylidene-4-(2,4,6-trimethylphenyl)but-2-enoic acid Openeye Name: (E)-4-oxo-4-(2,4,6-trimethylphenyl)but-2-enoic acid CAS Name: (E)-4-oxo-4-(2,4,6-trimethylphenyl)-2-butenoic acid IUPAC Name: (E)-4-oxo-4-(2,4,6-trimethylphenyl)but-2-enoic acid Traditional Name: (E)-4-keto-4-mesityl-but-2-enoic acid Formula: C13H14O3 MolecularWeight: 218.24846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14O3/c1-8-6-9(2)13(10(3)7-8)11(14)4-5-12(15)16/h4-7H,1-3H3,(H,15,16)/b5-4+