O1-[(2-bromanyl-3-phenylmethoxy-phenyl)methyl] O4-tert-butyl 2,6-bis(phenylmethoxy)benzene-1,4-dicarboxylate

Systemtic Name: O1-[(2-bromanyl-3-phenylmethoxy-phenyl)methyl] O4-tert-butyl 2,6-bis(phenylmethoxy)benzene-1,4-dicarboxylate Openeye Name: O1-[(3-benzyloxy-2-bromo-phenyl)methyl] O4-tert-butyl 2,6-dibenzyloxybenzene-1,4-dicarboxylate CAS Name: 2,6-bis(phenylmethoxy)benzene-1,4-dicarboxylic acid O1-[(2-bromo-3-phenylmethoxyphenyl)methyl] ester O4-tert-butyl ester IUPAC Name: 1-O-[(2-bromo-3-phenylmethoxyphenyl)methyl] 4-O-tert-butyl 2,6-bis(phenylmethoxy)benzene-1,4-dicarboxylate Traditional Name: 2,6-dibenzoxybenzene-1,4-dicarboxylic acid O1-(3-benzoxy-2-bromo-benzyl) ester O4-tert-butyl ester Formula: C40H37BrO7 MolecularWeight: 709.62158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC(=C(C(=C1)OCC2=CC=CC=C2)C(=O)OCC3=C(C(=CC=C3)OCC4=CC=CC=C4)Br)OCC5=CC=CC=C5

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC(=C(C(=C1)OCC2=CC=CC=C2)C(=O)OCC3=C(C(=CC=C3)OCC4=CC=CC=C4)Br)OCC5=CC=CC=C5

InChI

InChI=1S/C40H37BrO7/c1-40(2,3)48-38(42)32-22-34(45-25-29-16-9-5-10-17-29)36(35(23-32)46-26-30-18-11-6-12-19-30)39(43)47-27-31-20-13-21-33(37(31)41)44-24-28-14-7-4-8-15-28/h4-23H,24-27H2,1-3H3