4-(2,5-dimethylphenyl)-2,2-dimethyl-4-oxidanylidene-butanoate

Systemtic Name: 4-(2,5-dimethylphenyl)-2,2-dimethyl-4-oxidanylidene-butanoate Openeye Name: 4-(2,5-dimethylphenyl)-2,2-dimethyl-4-oxo-butanoate CAS Name: 4-(2,5-dimethylphenyl)-2,2-dimethyl-4-oxobutanoate IUPAC Name: 4-(2,5-dimethylphenyl)-2,2-dimethyl-4-oxobutanoate Traditional Name: 4-(2,5-dimethylphenyl)-4-keto-2,2-dimethyl-butyrate Formula: C14H17O3- MolecularWeight: 233.28298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18O3/c1-9-5-6-10(2)11(7-9)12(15)8-14(3,4)13(16)17/h5-7H,8H2,1-4H3,(H,16,17)/p-1