3-bromanyl-6-(2,2-dimethylpropanoyloxy)-2-methyl-benzoic acid

Systemtic Name: 3-bromanyl-6-(2,2-dimethylpropanoyloxy)-2-methyl-benzoic acid Openeye Name: 3-bromo-6-(2,2-dimethylpropanoyloxy)-2-methyl-benzoic acid CAS Name: 3-bromo-6-(2,2-dimethyl-1-oxopropoxy)-2-methylbenzoic acid IUPAC Name: 3-bromo-6-(2,2-dimethylpropanoyloxy)-2-methylbenzoic acid Traditional Name: 3-bromo-2-methyl-6-pivaloyloxy-benzoic acid Formula: C13H15BrO4 MolecularWeight: 315.1598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15BrO4/c1-7-8(14)5-6-9(10(7)11(15)16)18-12(17)13(2,3)4/h5-6H,1-4H3,(H,15,16)