3-diphenylphosphanylpropyl(diphenyl)phosphane; palladium(2+); tris(fluoranyl)methanesulfonate; dihydrate

Systemtic Name: 3-diphenylphosphanylpropyl(diphenyl)phosphane; palladium(2+); tris(fluoranyl)methanesulfonate; dihydrate Openeye Name: 3-diphenylphosphanylpropyl(diphenyl)phosphane; palladium(2+); trifluoromethanesulfonate; dihydrate CAS Name: 3-diphenylphosphinopropyl(diphenyl)phosphine; palladium(2+); trifluoromethanesulfonate; dihydrate IUPAC Name: 3-diphenylphosphanylpropyl(diphenyl)phosphane; palladium(2+); trifluoromethanesulfonate; dihydrate Traditional Name: 3-diphenylphosphinopropyl(diphenyl)phosphine; palladium(2+); ditriflate; dihydrate Formula: C29H30F6O8P2PdS2 MolecularWeight: 853.031641

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H26P2.2CHF3O3S.2H2O.Pd/c1-5-14-24(15-6-1)28(25-16-7-2-8-17-25)22-13-23-29(26-18-9-3-10-19-26)27-20-11-4-12-21-27;2*2-1(3,4)8(5,6)7;;;/h1-12,14-21H,13,22-23H2;2*(H,5,6,7);2*1H2;/q;;;;;+2/p-2