1-ethyl-3,5-dimethyl-2-phenyl-3,5-dihydropyrazole; iodanylpalladium(1+); triphenylphosphane; tris(fluoranyl)methanesulfonate

Systemtic Name: 1-ethyl-3,5-dimethyl-2-phenyl-3,5-dihydropyrazole; iodanylpalladium(1+); triphenylphosphane; tris(fluoranyl)methanesulfonate Openeye Name: 1-ethyl-3,5-dimethyl-2-phenyl-3,5-dihydropyrazole; iodopalladium(1+); trifluoromethanesulfonate; triphenylphosphane CAS Name: 1-ethyl-3,5-dimethyl-2-phenyl-3,5-dihydropyrazole; iodopalladium(1+); trifluoromethanesulfonate; triphenylphosphine IUPAC Name: 1-ethyl-3,5-dimethyl-2-phenyl-3,5-dihydropyrazole; iodopalladium(1+); trifluoromethanesulfonate; triphenylphosphane Traditional Name: 1-ethyl-3,5-dimethyl-2-phenyl-3,5-dihydropyrazole; iodopalladium(1+); triphenylphosphine; triflate Formula: C50H48F3IN2O3P2PdS MolecularWeight: 1109.259922

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C([C]C(N1C2=CC=CC=C2)C)C.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C(F)(F)(F)S(=O)(=O)[O-].[Pd+]I

Isomeric SMILES

CCN1C([C]C(N1C2=CC=CC=C2)C)C.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C(F)(F)(F)S(=O)(=O)[O-].[Pd+]I

InChI

InChI=1S/2C18H15P.C13H18N2.CHF3O3S.HI.Pd/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-4-14-11(2)10-12(3)15(14)13-8-6-5-7-9-13;2-1(3,4)8(5,6)7;;/h2*1-15H;5-9,11-12H,4H2,1-3H3;(H,5,6,7);1H;/q;;;;;+2/p-2