(3,3-dimethyl-2-oxidanylidene-butyl) 4-bromanylbenzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 4-bromanylbenzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 4-bromobenzoate CAS Name: 4-bromobenzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 4-bromobenzoate Traditional Name: 4-bromobenzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C13H15BrO3 MolecularWeight: 299.1604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CC=C(C=C1)Br

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC=C(C=C1)Br

InChI

InChI=1S/C13H15BrO3/c1-13(2,3)11(15)8-17-12(16)9-4-6-10(14)7-5-9/h4-7H,8H2,1-3H3