(2,5-dioctoxyphenyl)-diphenyl-[[4-(triphenylphosphaniumylmethyl)phenyl]methyl]phosphanium dibromide

Systemtic Name: (2,5-dioctoxyphenyl)-diphenyl-[[4-(triphenylphosphaniumylmethyl)phenyl]methyl]phosphanium dibromide Openeye Name: (2,5-dioctoxyphenyl)-diphenyl-[[4-(triphenylphosphaniumylmethyl)phenyl]methyl]phosphonium dibromide CAS Name: (2,5-dioctoxyphenyl)-diphenyl-[[4-(triphenylphosphiniumylmethyl)phenyl]methyl]phosphonium dibromide IUPAC Name: (2,5-dioctoxyphenyl)-diphenyl-[[4-(triphenylphosphaniumylmethyl)phenyl]methyl]phosphanium dibromide Traditional Name: (2,5-dioctoxyphenyl)-diphenyl-[4-(triphenylphosphiniumylmethyl)benzyl]phosphonium dibromide Formula: C60H70Br2O2P2 MolecularWeight: 1044.952122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC(=C(C=C1)OCCCCCCCC)[P+](CC2=CC=C(C=C2)C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7.[Br-].[Br-]

Isomeric SMILES

CCCCCCCCOC1=CC(=C(C=C1)OCCCCCCCC)[P+](CC2=CC=C(C=C2)C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7.[Br-].[Br-]

InChI

InChI=1S/C60H70O2P2.2BrH/c1-3-5-7-9-11-28-46-61-53-44-45-59(62-47-29-12-10-8-6-4-2)60(48-53)64(57-36-24-16-25-37-57,58-38-26-17-27-39-58)50-52-42-40-51(41-43-52)49-63(54-30-18-13-19-31-54,55-32-20-14-21-33-55)56-34-22-15-23-35-56;;/h13-27,30-45,48H,3-12,28-29,46-47,49-50H2,1-2H3;2*1H/q+2;;/p-2