4-(2,6-dimethylphenyl)-4-oxidanyl-2-oxidanylidene-but-3-enoate

Systemtic Name: 4-(2,6-dimethylphenyl)-4-oxidanyl-2-oxidanylidene-but-3-enoate Openeye Name: 4-(2,6-dimethylphenyl)-4-hydroxy-2-oxo-but-3-enoate CAS Name: 4-(2,6-dimethylphenyl)-4-hydroxy-2-oxo-3-butenoate IUPAC Name: 4-(2,6-dimethylphenyl)-4-hydroxy-2-oxobut-3-enoate Traditional Name: 4-(2,6-dimethylphenyl)-4-hydroxy-2-keto-but-3-enoate Formula: C12H11O4- MolecularWeight: 219.21334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12O4/c1-7-4-3-5-8(2)11(7)9(13)6-10(14)12(15)16/h3-6,13H,1-2H3,(H,15,16)/p-1