ditert-butyl(dicyclohexylphosphanylmethyl)phosphane; ethanenitrile; palladium(2+); tris(fluoranyl)methanesulfonate

Systemtic Name: ditert-butyl(dicyclohexylphosphanylmethyl)phosphane; ethanenitrile; palladium(2+); tris(fluoranyl)methanesulfonate Openeye Name: acetonitrile; ditert-butyl(dicyclohexylphosphanylmethyl)phosphane; palladium(2+); trifluoromethanesulfonate CAS Name: acetonitrile; ditert-butyl(dicyclohexylphosphinomethyl)phosphine; palladium(2+); trifluoromethanesulfonate IUPAC Name: acetonitrile; ditert-butyl(dicyclohexylphosphanylmethyl)phosphane; palladium(2+); trifluoromethanesulfonate Traditional Name: acetonitrile; ditert-butyl(dicyclohexylphosphinomethyl)phosphine; palladium(2+); ditriflate Formula: C27H48F6N2O6P2PdS2 MolecularWeight: 843.167761

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Descriptors Computed from Structure

Canonical SMILES:

CC#N.CC#N.CC(C)(C)P(CP(C1CCCCC1)C2CCCCC2)C(C)(C)C.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Pd+2]

Isomeric SMILES

CC#N.CC#N.CC(C)(C)P(CP(C1CCCCC1)C2CCCCC2)C(C)(C)C.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Pd+2]

InChI

InChI=1S/C21H42P2.2C2H3N.2CHF3O3S.Pd/c1-20(2,3)23(21(4,5)6)17-22(18-13-9-7-10-14-18)19-15-11-8-12-16-19;2*1-2-3;2*2-1(3,4)8(5,6)7;/h18-19H,7-17H2,1-6H3;2*1H3;2*(H,5,6,7);/q;;;;;+2/p-2