2,2-dimethylpropyl 4-bromanyl-2-methyl-benzoate

Systemtic Name: 2,2-dimethylpropyl 4-bromanyl-2-methyl-benzoate Openeye Name: 2,2-dimethylpropyl 4-bromo-2-methyl-benzoate CAS Name: 4-bromo-2-methylbenzoic acid 2,2-dimethylpropyl ester IUPAC Name: 2,2-dimethylpropyl 4-bromo-2-methylbenzoate Traditional Name: 4-bromo-2-methyl-benzoic acid neopentyl ester Formula: C13H17BrO2 MolecularWeight: 285.17688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)C(=O)OCC(C)(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)Br)C(=O)OCC(C)(C)C

InChI

InChI=1S/C13H17BrO2/c1-9-7-10(14)5-6-11(9)12(15)16-8-13(2,3)4/h5-7H,8H2,1-4H3