(E)-4-(2,5-dimethylphenyl)-4-oxidanylidene-but-2-enoate

Systemtic Name: (E)-4-(2,5-dimethylphenyl)-4-oxidanylidene-but-2-enoate Openeye Name: (E)-4-(2,5-dimethylphenyl)-4-oxo-but-2-enoate CAS Name: (E)-4-(2,5-dimethylphenyl)-4-oxo-2-butenoate IUPAC Name: (E)-4-(2,5-dimethylphenyl)-4-oxobut-2-enoate Traditional Name: (E)-4-(2,5-dimethylphenyl)-4-keto-but-2-enoate Formula: C12H11O3- MolecularWeight: 203.21394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)C=CC(=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)/C=C/C(=O)[O-]

InChI

InChI=1S/C12H12O3/c1-8-3-4-9(2)10(7-8)11(13)5-6-12(14)15/h3-7H,1-2H3,(H,14,15)/p-1/b6-5+