palladium(2+); triphenylphosphane; tris(fluoranyl)methanesulfonate

Systemtic Name: palladium(2+); triphenylphosphane; tris(fluoranyl)methanesulfonate Openeye Name: palladium(2+); trifluoromethanesulfonate; triphenylphosphane CAS Name: palladium(2+); trifluoromethanesulfonate; triphenylphosphine IUPAC Name: palladium(2+); trifluoromethanesulfonate; triphenylphosphane Traditional Name: palladium(2+); triphenylphosphine; ditriflate Formula: C56H45F6O6P3PdS2 MolecularWeight: 1191.414602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Pd+2]

Isomeric SMILES

C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Pd+2]

InChI

InChI=1S/3C18H15P.2CHF3O3S.Pd/c3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*2-1(3,4)8(5,6)7;/h3*1-15H;2*(H,5,6,7);/q;;;;;+2/p-2