(3,3-dimethyl-2-oxidanylidene-butyl) 5-bromanyl-2-chloranyl-benzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 5-bromanyl-2-chloranyl-benzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 5-bromo-2-chloro-benzoate CAS Name: 5-bromo-2-chlorobenzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 5-bromo-2-chlorobenzoate Traditional Name: 5-bromo-2-chloro-benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C13H14BrClO3 MolecularWeight: 333.60546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14BrClO3/c1-13(2,3)11(16)7-18-12(17)9-6-8(14)4-5-10(9)15/h4-6H,7H2,1-3H3