[4,5-bis(fluoranyl)-2-(triphenylphosphaniumylmethyl)phenyl]methyl-cyclohexyl-diphenyl-phosphanium dibromide

Systemtic Name: [4,5-bis(fluoranyl)-2-(triphenylphosphaniumylmethyl)phenyl]methyl-cyclohexyl-diphenyl-phosphanium dibromide Openeye Name: cyclohexyl-[[4,5-difluoro-2-(triphenylphosphaniumylmethyl)phenyl]methyl]-diphenyl-phosphonium dibromide CAS Name: cyclohexyl-[[4,5-difluoro-2-(triphenylphosphiniumylmethyl)phenyl]methyl]-diphenylphosphonium dibromide IUPAC Name: cyclohexyl-[[4,5-difluoro-2-(triphenylphosphaniumylmethyl)phenyl]methyl]-diphenylphosphanium dibromide Traditional Name: cyclohexyl-[4,5-difluoro-2-(triphenylphosphiniumylmethyl)benzyl]-diphenyl-phosphonium dibromide Formula: C44H42Br2F2P2 MolecularWeight: 830.556608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[P+](CC2=CC(=C(C=C2C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)F)F)(C6=CC=CC=C6)C7=CC=CC=C7.[Br-].[Br-]

Isomeric SMILES

C1CCC(CC1)[P+](CC2=CC(=C(C=C2C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)F)F)(C6=CC=CC=C6)C7=CC=CC=C7.[Br-].[Br-]

InChI

InChI=1S/C44H42F2P2.2BrH/c45-43-31-35(33-47(37-19-7-1-8-20-37,38-21-9-2-10-22-38)39-23-11-3-12-24-39)36(32-44(43)46)34-48(40-25-13-4-14-26-40,41-27-15-5-16-28-41)42-29-17-6-18-30-42;;/h1-5,7-16,19-28,31-32,42H,6,17-18,29-30,33-34H2;2*1H/q+2;;/p-2