methyl 3-bromanyl-5-tert-butyl-benzoate

Systemtic Name: methyl 3-bromanyl-5-tert-butyl-benzoate Openeye Name: methyl 3-bromo-5-tert-butyl-benzoate CAS Name: 3-bromo-5-tert-butylbenzoic acid methyl ester IUPAC Name: methyl 3-bromo-5-tert-butylbenzoate Traditional Name: 3-bromo-5-tert-butyl-benzoic acid methyl ester Formula: C12H15BrO2 MolecularWeight: 271.1503

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15BrO2/c1-12(2,3)9-5-8(11(14)15-4)6-10(13)7-9/h5-7H,1-4H3