2-[2,4-bis(phenylmethoxy)phenyl]ethyl-triphenyl-phosphanium bromide

Systemtic Name: 2-[2,4-bis(phenylmethoxy)phenyl]ethyl-triphenyl-phosphanium bromide Openeye Name: 2-(2,4-dibenzyloxyphenyl)ethyl-triphenyl-phosphonium bromide CAS Name: 2-[2,4-bis(phenylmethoxy)phenyl]ethyl-triphenylphosphonium bromide IUPAC Name: 2-[2,4-bis(phenylmethoxy)phenyl]ethyl-triphenylphosphanium bromide Traditional Name: 2-(2,4-dibenzoxyphenyl)ethyl-triphenyl-phosphonium bromide Formula: C40H36BrO2P MolecularWeight: 659.590401

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC(=C(C=C2)CC[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)OCC6=CC=CC=C6.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC(=C(C=C2)CC[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)OCC6=CC=CC=C6.[Br-]

InChI

InChI=1S/C40H36O2P.BrH/c1-6-16-33(17-7-1)31-41-36-27-26-35(40(30-36)42-32-34-18-8-2-9-19-34)28-29-43(37-20-10-3-11-21-37,38-22-12-4-13-23-38)39-24-14-5-15-25-39;/h1-27,30H,28-29,31-32H2;1H/q+1;/p-1