(4-bromophenyl)methyl 3,5-ditert-butylbenzoate

Systemtic Name: (4-bromophenyl)methyl 3,5-ditert-butylbenzoate Openeye Name: (4-bromophenyl)methyl 3,5-ditert-butylbenzoate CAS Name: 3,5-ditert-butylbenzoic acid (4-bromophenyl)methyl ester IUPAC Name: (4-bromophenyl)methyl 3,5-ditert-butylbenzoate Traditional Name: 3,5-ditert-butylbenzoic acid (4-bromobenzyl) ester Formula: C22H27BrO2 MolecularWeight: 403.35258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)C(=O)OCC2=CC=C(C=C2)Br)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)C(=O)OCC2=CC=C(C=C2)Br)C(C)(C)C

InChI

InChI=1S/C22H27BrO2/c1-21(2,3)17-11-16(12-18(13-17)22(4,5)6)20(24)25-14-15-7-9-19(23)10-8-15/h7-13H,14H2,1-6H3