[3-(4-methoxycarbonylphenoxy)-4,5-bis(phenylmethoxy)phenyl]methyl-triphenyl-phosphanium bromide

Systemtic Name: [3-(4-methoxycarbonylphenoxy)-4,5-bis(phenylmethoxy)phenyl]methyl-triphenyl-phosphanium bromide Openeye Name: [3,4-dibenzyloxy-5-(4-methoxycarbonylphenoxy)phenyl]methyl-triphenyl-phosphonium bromide CAS Name: [3-(4-methoxycarbonylphenoxy)-4,5-bis(phenylmethoxy)phenyl]methyl-triphenylphosphonium bromide IUPAC Name: [3-(4-methoxycarbonylphenoxy)-4,5-bis(phenylmethoxy)phenyl]methyl-triphenylphosphanium bromide Traditional Name: [3,4-dibenzoxy-5-(4-carbomethoxyphenoxy)benzyl]-triphenyl-phosphonium bromide Formula: C47H40BrO5P MolecularWeight: 795.695261

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)OC2=C(C(=CC(=C2)C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7.[Br-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)OC2=C(C(=CC(=C2)C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7.[Br-]

InChI

InChI=1S/C47H40O5P.BrH/c1-49-47(48)39-27-29-40(30-28-39)52-45-32-38(31-44(50-33-36-17-7-2-8-18-36)46(45)51-34-37-19-9-3-10-20-37)35-53(41-21-11-4-12-22-41,42-23-13-5-14-24-42)43-25-15-6-16-26-43;/h2-32H,33-35H2,1H3;1H/q+1;/p-1