[2,5-dimethyl-4-(triphenylphosphaniumylmethyl)phenyl]methyl-triphenyl-phosphanium dichloride

Systemtic Name: [2,5-dimethyl-4-(triphenylphosphaniumylmethyl)phenyl]methyl-triphenyl-phosphanium dichloride Openeye Name: [2,5-dimethyl-4-(triphenylphosphaniumylmethyl)phenyl]methyl-triphenyl-phosphonium dichloride CAS Name: [2,5-dimethyl-4-(triphenylphosphiniumylmethyl)phenyl]methyl-triphenylphosphonium dichloride IUPAC Name: [2,5-dimethyl-4-(triphenylphosphaniumylmethyl)phenyl]methyl-triphenylphosphanium dichloride Traditional Name: [2,5-dimethyl-4-(triphenylphosphiniumylmethyl)benzyl]-triphenyl-phosphonium dichloride Formula: C46H42Cl2P2 MolecularWeight: 727.679202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C)C[P+](C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7.[Cl-].[Cl-]

Isomeric SMILES

CC1=CC(=C(C=C1C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C)C[P+](C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7.[Cl-].[Cl-]

InChI

InChI=1S/C46H42P2.2ClH/c1-37-33-40(36-48(44-27-15-6-16-28-44,45-29-17-7-18-30-45)46-31-19-8-20-32-46)38(2)34-39(37)35-47(41-21-9-3-10-22-41,42-23-11-4-12-24-42)43-25-13-5-14-26-43;;/h3-34H,35-36H2,1-2H3;2*1H/q+2;;/p-2