4-(4-bromanyl-2,5-dimethyl-phenyl)-3,3-dimethyl-4-oxidanylidene-butanoic acid

Systemtic Name: 4-(4-bromanyl-2,5-dimethyl-phenyl)-3,3-dimethyl-4-oxidanylidene-butanoic acid Openeye Name: 4-(4-bromo-2,5-dimethyl-phenyl)-3,3-dimethyl-4-oxo-butanoic acid CAS Name: 4-(4-bromo-2,5-dimethylphenyl)-3,3-dimethyl-4-oxobutanoic acid IUPAC Name: 4-(4-bromo-2,5-dimethylphenyl)-3,3-dimethyl-4-oxobutanoic acid Traditional Name: 4-(4-bromo-2,5-dimethyl-phenyl)-4-keto-3,3-dimethyl-butyric acid Formula: C14H17BrO3 MolecularWeight: 313.18698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)C(C)(C)CC(=O)O)C)Br

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)C(C)(C)CC(=O)O)C)Br

InChI

InChI=1S/C14H17BrO3/c1-8-6-11(15)9(2)5-10(8)13(18)14(3,4)7-12(16)17/h5-6H,7H2,1-4H3,(H,16,17)