[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenyl-phosphane; ethanenitrile; palladium(2+); tris(fluoranyl)methanesulfonate; hydrate

Systemtic Name: [1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenyl-phosphane; ethanenitrile; palladium(2+); tris(fluoranyl)methanesulfonate; hydrate Openeye Name: acetonitrile; [1-(2-diphenylphosphanyl-1-naphthyl)-2-naphthyl]-diphenyl-phosphane; palladium(2+); trifluoromethanesulfonate; hydrate CAS Name: acetonitrile; [1-(2-diphenylphosphino-1-naphthalenyl)-2-naphthalenyl]-diphenylphosphine; palladium(2+); trifluoromethanesulfonate; hydrate IUPAC Name: acetonitrile; [1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane; palladium(2+); trifluoromethanesulfonate; hydrate Traditional Name: acetonitrile; [1-(2-diphenylphosphino-1-naphthyl)-2-naphthyl]-diphenyl-phosphine; palladium(2+); ditriflate; hydrate Formula: C48H37F6NO7P2PdS2 MolecularWeight: 1086.297821

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Descriptors Computed from Structure

Canonical SMILES:

CC#N.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=C(C4=CC=CC=C4C=C3)C5=C(C=CC6=CC=CC=C65)P(C7=CC=CC=C7)C8=CC=CC=C8.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].O.[Pd+2]

Isomeric SMILES

CC#N.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=C(C4=CC=CC=C4C=C3)C5=C(C=CC6=CC=CC=C65)P(C7=CC=CC=C7)C8=CC=CC=C8.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].O.[Pd+2]

InChI

InChI=1S/C44H32P2.C2H3N.2CHF3O3S.H2O.Pd/c1-5-19-35(20-6-1)45(36-21-7-2-8-22-36)41-31-29-33-17-13-15-27-39(33)43(41)44-40-28-16-14-18-34(40)30-32-42(44)46(37-23-9-3-10-24-37)38-25-11-4-12-26-38;1-2-3;2*2-1(3,4)8(5,6)7;;/h1-32H;1H3;2*(H,5,6,7);1H2;/q;;;;;+2/p-2