benzene; bromanylpalladium(1+); diphenylphosphanylmethyl(diphenyl)phosphane; palladium(2+); hexafluorophosphate

Systemtic Name: benzene; bromanylpalladium(1+); diphenylphosphanylmethyl(diphenyl)phosphane; palladium(2+); hexafluorophosphate Openeye Name: benzene; bromopalladium(1+); diphenylphosphanylmethyl(diphenyl)phosphane; palladium(2+); hexafluorophosphate CAS Name: benzene; bromopalladium(1+); diphenylphosphinomethyl(diphenyl)phosphine; palladium(2+); hexafluorophosphate IUPAC Name: benzene; bromopalladium(1+); diphenylphosphanylmethyl(diphenyl)phosphane; palladium(2+); hexafluorophosphate Traditional Name: benzene; bromopalladium(1+); diphenylphosphinomethyl(diphenyl)phosphine; palladium(2+); hexafluorophosphate Formula: C62H54BrF6P5Pd2 MolecularWeight: 1360.695384

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[C-]C=C1.C1=CC=[C-]C=C1.C1=CC=C(C=C1)P(CP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.C1=CC=C(C=C1)P(CP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.F[P-](F)(F)(F)(F)F.Br[Pd+].[Pd+2]

Isomeric SMILES

C1=CC=[C-]C=C1.C1=CC=[C-]C=C1.C1=CC=C(C=C1)P(CP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.C1=CC=C(C=C1)P(CP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.F[P-](F)(F)(F)(F)F.Br[Pd+].[Pd+2]

InChI

InChI=1S/2C25H22P2.2C6H5.BrH.F6P.2Pd/c2*1-5-13-22(14-6-1)26(23-15-7-2-8-16-23)21-27(24-17-9-3-10-18-24)25-19-11-4-12-20-25;2*1-2-4-6-5-3-1;;1-7(2,3,4,5)6;;/h2*1-20H,21H2;2*1-5H;1H;;;/q;;2*-1;;-1;2*+2/p-1