ditert-butyl 4-bromanyl-5-hexyl-benzene-1,2-dicarboxylate

Systemtic Name: ditert-butyl 4-bromanyl-5-hexyl-benzene-1,2-dicarboxylate Openeye Name: ditert-butyl 4-bromo-5-hexyl-benzene-1,2-dicarboxylate CAS Name: 4-bromo-5-hexylbenzene-1,2-dicarboxylic acid ditert-butyl ester IUPAC Name: ditert-butyl 4-bromo-5-hexylbenzene-1,2-dicarboxylate Traditional Name: 4-bromo-5-hexyl-benzene-1,2-dicarboxylic acid ditert-butyl ester Formula: C22H33BrO4 MolecularWeight: 441.39902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C=C(C(=C1)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)Br

Isomeric SMILES

CCCCCCC1=C(C=C(C(=C1)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)Br

InChI

InChI=1S/C22H33BrO4/c1-8-9-10-11-12-15-13-16(19(24)26-21(2,3)4)17(14-18(15)23)20(25)27-22(5,6)7/h13-14H,8-12H2,1-7H3