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

Systemtic Name: benzenecarbonitrile; palladium(2+); tris(fluoranyl)methanesulfonate Openeye Name: benzonitrile; palladium(2+); trifluoromethanesulfonate CAS Name: benzonitrile; palladium(2+); trifluoromethanesulfonate IUPAC Name: benzonitrile; palladium(2+); trifluoromethanesulfonate Traditional Name: benzonitrile; palladium(2+); ditriflate Formula: C30H20F6N4O6PdS2 MolecularWeight: 817.043419

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#N.C1=CC=C(C=C1)C#N.C1=CC=C(C=C1)C#N.C1=CC=C(C=C1)C#N.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)C#N.C1=CC=C(C=C1)C#N.C1=CC=C(C=C1)C#N.C1=CC=C(C=C1)C#N.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Pd+2]

InChI

InChI=1S/4C7H5N.2CHF3O3S.Pd/c4*8-6-7-4-2-1-3-5-7;2*2-1(3,4)8(5,6)7;/h4*1-5H;2*(H,5,6,7);/q;;;;;;+2/p-2