[4-(bromomethyl)-2-tert-butyl-phenyl] ethanoate

Systemtic Name: [4-(bromomethyl)-2-tert-butyl-phenyl] ethanoate Openeye Name: [4-(bromomethyl)-2-tert-butyl-phenyl] acetate CAS Name: acetic acid [4-(bromomethyl)-2-tert-butylphenyl] ester IUPAC Name: [4-(bromomethyl)-2-tert-butylphenyl] acetate Traditional Name: acetic acid [4-(bromomethyl)-2-tert-butyl-phenyl] ester Formula: C13H17BrO2 MolecularWeight: 285.17688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1)CBr)C(C)(C)C

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1)CBr)C(C)(C)C

InChI

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