[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenyl-phosphane; palladium; tris(fluoranyl)methanesulfonic acid; dihydrate

Systemtic Name: [1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenyl-phosphane; palladium; tris(fluoranyl)methanesulfonic acid; dihydrate Openeye Name: [1-(2-diphenylphosphanyl-1-naphthyl)-2-naphthyl]-diphenyl-phosphane; palladium; trifluoromethanesulfonic acid; dihydrate CAS Name: [1-(2-diphenylphosphino-1-naphthalenyl)-2-naphthalenyl]-diphenylphosphine; palladium; trifluoromethanesulfonic acid; dihydrate IUPAC Name: [1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane; palladium; trifluoromethanesulfonic acid; dihydrate Traditional Name: [1-(2-diphenylphosphino-1-naphthyl)-2-naphthyl]-diphenyl-phosphine; palladium; triflic acid; dihydrate Formula: C46H38F6O8P2PdS2 MolecularWeight: 1065.277061

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Descriptors Computed from Structure

Canonical SMILES:

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.O.[Pd]

Isomeric SMILES

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.O.[Pd]

InChI

InChI=1S/C44H32P2.2CHF3O3S.2H2O.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;2*2-1(3,4)8(5,6)7;;;/h1-32H;2*(H,5,6,7);2*1H2;