methyl 3-(bromomethyl)-5-tert-butyl-benzoate

Systemtic Name: methyl 3-(bromomethyl)-5-tert-butyl-benzoate Openeye Name: methyl 3-(bromomethyl)-5-tert-butyl-benzoate CAS Name: 3-(bromomethyl)-5-tert-butylbenzoic acid methyl ester IUPAC Name: methyl 3-(bromomethyl)-5-tert-butylbenzoate Traditional Name: 3-(bromomethyl)-5-tert-butyl-benzoic acid methyl ester Formula: C13H17BrO2 MolecularWeight: 285.17688

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)CBr)C(=O)OC

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)CBr)C(=O)OC

InChI

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