[2,5-didodecyl-4-(triphenylphosphaniumylmethyl)phenyl]methyl-triphenyl-phosphanium dibromide

Systemtic Name: [2,5-didodecyl-4-(triphenylphosphaniumylmethyl)phenyl]methyl-triphenyl-phosphanium dibromide Openeye Name: [2,5-didodecyl-4-(triphenylphosphaniumylmethyl)phenyl]methyl-triphenyl-phosphonium dibromide CAS Name: [2,5-didodecyl-4-(triphenylphosphiniumylmethyl)phenyl]methyl-triphenylphosphonium dibromide IUPAC Name: [2,5-didodecyl-4-(triphenylphosphaniumylmethyl)phenyl]methyl-triphenylphosphanium dibromide Traditional Name: [2,5-dilauryl-4-(triphenylphosphiniumylmethyl)benzyl]-triphenyl-phosphonium dibromide Formula: C68H86Br2P2 MolecularWeight: 1125.165962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC(=C(C=C1C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)CCCCCCCCCCCC)C[P+](C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7.[Br-].[Br-]

Isomeric SMILES

CCCCCCCCCCCCC1=CC(=C(C=C1C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)CCCCCCCCCCCC)C[P+](C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7.[Br-].[Br-]

InChI

InChI=1S/C68H86P2.2BrH/c1-3-5-7-9-11-13-15-17-19-27-41-59-55-62(58-70(66-49-35-24-36-50-66,67-51-37-25-38-52-67)68-53-39-26-40-54-68)60(42-28-20-18-16-14-12-10-8-6-4-2)56-61(59)57-69(63-43-29-21-30-44-63,64-45-31-22-32-46-64)65-47-33-23-34-48-65;;/h21-26,29-40,43-56H,3-20,27-28,41-42,57-58H2,1-2H3;2*1H/q+2;;/p-2