iodanylbenzene; palladium(2+); triphenylphosphane; tris(fluoranyl)methanesulfonate

Systemtic Name: iodanylbenzene; palladium(2+); triphenylphosphane; tris(fluoranyl)methanesulfonate Openeye Name: iodobenzene; palladium(2+); trifluoromethanesulfonate; triphenylphosphane CAS Name: iodobenzene; palladium(2+); trifluoromethanesulfonate; triphenylphosphine IUPAC Name: iodobenzene; palladium(2+); trifluoromethanesulfonate; triphenylphosphane Traditional Name: iodobenzene; palladium(2+); triphenylphosphine; triflate Formula: C43H34F3IO3P2PdS MolecularWeight: 983.060462

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Descriptors Computed from Structure

Canonical SMILES:

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.C1=CC(=CC=[C-]1)I.C(F)(F)(F)S(=O)(=O)[O-].[Pd+2]

Isomeric SMILES

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.C1=CC(=CC=[C-]1)I.C(F)(F)(F)S(=O)(=O)[O-].[Pd+2]

InChI

InChI=1S/2C18H15P.C6H4I.CHF3O3S.Pd/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;7-6-4-2-1-3-5-6;2-1(3,4)8(5,6)7;/h2*1-15H;2-5H;(H,5,6,7);/q;;-1;;+2/p-1