(E)-1-(2,5-dimethylphenyl)-3-oxidanylidene-but-1-en-1-olate

Systemtic Name: (E)-1-(2,5-dimethylphenyl)-3-oxidanylidene-but-1-en-1-olate Openeye Name: (E)-1-(2,5-dimethylphenyl)-3-oxo-but-1-en-1-olate CAS Name: (E)-1-(2,5-dimethylphenyl)-3-oxo-1-buten-1-olate IUPAC Name: (E)-1-(2,5-dimethylphenyl)-3-oxobut-1-en-1-olate Traditional Name: (E)-1-(2,5-dimethylphenyl)-3-keto-but-1-en-1-olate Formula: C12H13O2- MolecularWeight: 189.23042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14O2/c1-8-4-5-9(2)11(6-8)12(14)7-10(3)13/h4-7,14H,1-3H3/p-1/b12-7+