bis(2-diphenylphosphanylethyl)-phenyl-phosphane; palladium(2+); tris(fluoranyl)methanesulfonate

Systemtic Name: bis(2-diphenylphosphanylethyl)-phenyl-phosphane; palladium(2+); tris(fluoranyl)methanesulfonate Openeye Name: bis(2-diphenylphosphanylethyl)-phenyl-phosphane; palladium(2+); trifluoromethanesulfonate CAS Name: bis(2-diphenylphosphinoethyl)-phenylphosphine; palladium(2+); trifluoromethanesulfonate IUPAC Name: bis(2-diphenylphosphanylethyl)-phenylphosphane; palladium(2+); trifluoromethanesulfonate Traditional Name: bis(2-diphenylphosphinoethyl)-phenyl-phosphine; palladium(2+); ditriflate Formula: C36H33F6O6P3PdS2 MolecularWeight: 939.105322

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)P(CCP(C2=CC=CC=C2)C3=CC=CC=C3)CCP(C4=CC=CC=C4)C5=CC=CC=C5.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(CCP(C2=CC=CC=C2)C3=CC=CC=C3)CCP(C4=CC=CC=C4)C5=CC=CC=C5.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Pd+2]

InChI

InChI=1S/C34H33P3.2CHF3O3S.Pd/c1-6-16-30(17-7-1)35(26-28-36(31-18-8-2-9-19-31)32-20-10-3-11-21-32)27-29-37(33-22-12-4-13-23-33)34-24-14-5-15-25-34;2*2-1(3,4)8(5,6)7;/h1-25H,26-29H2;2*(H,5,6,7);/q;;;+2/p-2