bis[(4-methoxyphenyl)methyl] 5-(3-bromanylprop-1-ynyl)benzene-1,3-dicarboxylate

Systemtic Name: bis[(4-methoxyphenyl)methyl] 5-(3-bromanylprop-1-ynyl)benzene-1,3-dicarboxylate Openeye Name: bis[(4-methoxyphenyl)methyl] 5-(3-bromoprop-1-ynyl)benzene-1,3-dicarboxylate CAS Name: 5-(3-bromoprop-1-ynyl)benzene-1,3-dicarboxylic acid bis[(4-methoxyphenyl)methyl] ester IUPAC Name: bis[(4-methoxyphenyl)methyl] 5-(3-bromoprop-1-ynyl)benzene-1,3-dicarboxylate Traditional Name: 5-(3-bromoprop-1-ynyl)benzene-1,3-dicarboxylic acid bis(p-anisyl) ester Formula: C27H23BrO6 MolecularWeight: 523.37192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)COC(=O)C2=CC(=CC(=C2)C#CCBr)C(=O)OCC3=CC=C(C=C3)OC

Isomeric SMILES

COC1=CC=C(C=C1)COC(=O)C2=CC(=CC(=C2)C#CCBr)C(=O)OCC3=CC=C(C=C3)OC

InChI

InChI=1S/C27H23BrO6/c1-31-24-9-5-19(6-10-24)17-33-26(29)22-14-21(4-3-13-28)15-23(16-22)27(30)34-18-20-7-11-25(32-2)12-8-20/h5-12,14-16H,13,17-18H2,1-2H3