4-(3,5-dimethyl-4-oxidanyl-phenyl)-4-oxidanylidene-butanoate

Systemtic Name: 4-(3,5-dimethyl-4-oxidanyl-phenyl)-4-oxidanylidene-butanoate Openeye Name: 4-(4-hydroxy-3,5-dimethyl-phenyl)-4-oxo-butanoate CAS Name: 4-(4-hydroxy-3,5-dimethylphenyl)-4-oxobutanoate IUPAC Name: 4-(4-hydroxy-3,5-dimethylphenyl)-4-oxobutanoate Traditional Name: 4-(4-hydroxy-3,5-dimethyl-phenyl)-4-keto-butyrate Formula: C12H13O4- MolecularWeight: 221.22922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C)C(=O)CCC(=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1O)C)C(=O)CCC(=O)[O-]

InChI

InChI=1S/C12H14O4/c1-7-5-9(6-8(2)12(7)16)10(13)3-4-11(14)15/h5-6,16H,3-4H2,1-2H3,(H,14,15)/p-1