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

Systemtic Name: 4-bromanyl-2,2-dimethyl-4-(2-methylphenoxy)-3-oxidanylidene-butanoic acid Openeye Name: 4-bromo-2,2-dimethyl-4-(2-methylphenoxy)-3-oxo-butanoic acid CAS Name: 4-bromo-2,2-dimethyl-4-(2-methylphenoxy)-3-oxobutanoic acid IUPAC Name: 4-bromo-2,2-dimethyl-4-(2-methylphenoxy)-3-oxobutanoic acid Traditional Name: 4-bromo-3-keto-2,2-dimethyl-4-(2-methylphenoxy)butyric acid Formula: C13H15BrO4 MolecularWeight: 315.1598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OC(C(=O)C(C)(C)C(=O)O)Br

Isomeric SMILES

CC1=CC=CC=C1OC(C(=O)C(C)(C)C(=O)O)Br

InChI

InChI=1S/C13H15BrO4/c1-8-6-4-5-7-9(8)18-11(14)10(15)13(2,3)12(16)17/h4-7,11H,1-3H3,(H,16,17)