4-(4-butylphenyl)-2,2-dimethyl-4-oxidanylidene-butanoic acid

Systemtic Name: 4-(4-butylphenyl)-2,2-dimethyl-4-oxidanylidene-butanoic acid Openeye Name: 4-(4-butylphenyl)-2,2-dimethyl-4-oxo-butanoic acid CAS Name: 4-(4-butylphenyl)-2,2-dimethyl-4-oxobutanoic acid IUPAC Name: 4-(4-butylphenyl)-2,2-dimethyl-4-oxobutanoic acid Traditional Name: 4-(4-butylphenyl)-4-keto-2,2-dimethyl-butyric acid Formula: C16H22O3 MolecularWeight: 262.34408

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)CC(C)(C)C(=O)O

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)CC(C)(C)C(=O)O

InChI

InChI=1S/C16H22O3/c1-4-5-6-12-7-9-13(10-8-12)14(17)11-16(2,3)15(18)19/h7-10H,4-6,11H2,1-3H3,(H,18,19)