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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC(=C(C=C1C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)OCCCCCCCC)C[P+](C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7.[Br-].[Br-]

Isomeric SMILES

CCCCCCCCOC1=CC(=C(C=C1C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)OCCCCCCCC)C[P+](C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7.[Br-].[Br-]

InChI

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