4-butyl-2-(3,3-dimethyl-2-oxidanylidene-butyl)benzoic acid

Systemtic Name: 4-butyl-2-(3,3-dimethyl-2-oxidanylidene-butyl)benzoic acid Openeye Name: 4-butyl-2-(3,3-dimethyl-2-oxo-butyl)benzoic acid CAS Name: 4-butyl-2-(3,3-dimethyl-2-oxobutyl)benzoic acid IUPAC Name: 4-butyl-2-(3,3-dimethyl-2-oxobutyl)benzoic acid Traditional Name: 4-butyl-2-(2-keto-3,3-dimethyl-butyl)benzoic acid Formula: C17H24O3 MolecularWeight: 276.37066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24O3/c1-5-6-7-12-8-9-14(16(19)20)13(10-12)11-15(18)17(2,3)4/h8-10H,5-7,11H2,1-4H3,(H,19,20)