2-(4-fluoranylbenzene-6-id-1-yl)-2H-pyridin-1-ide; iridium(3+); 2-phenylphosphanylbenzenethiolate

Systemtic Name: 2-(4-fluoranylbenzene-6-id-1-yl)-2H-pyridin-1-ide; iridium(3+); 2-phenylphosphanylbenzenethiolate Openeye Name: 2-(4-fluorobenzene-6-id-1-yl)-2H-pyridin-1-ide; iridium(3+); 2-phenylphosphanylbenzenethiolate CAS Name: 2-(4-fluoro-1-benzene-6-idyl)-2H-pyridin-1-ide; iridium(3+); 2-phenylphosphinobenzenethiolate IUPAC Name: 2-(4-fluorobenzene-6-id-1-yl)-2H-pyridin-1-ide; iridium(3+); 2-phenylphosphanylbenzenethiolate Traditional Name: 2-(4-fluorobenzene-6-id-1-yl)-2H-pyridin-1-ide; iridium(3+); 2-phenylphosphinobenzenethiolate Formula: C23H18FIrNPS MolecularWeight: 582.649884

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)PC2=CC=CC=C2[S-].C1=CC([N-]C=C1)C2=CC=C(C=[C-]2)F.[Ir+3]

Isomeric SMILES

C1=CC=C(C=C1)PC2=CC=CC=C2[S-].C1=CC([N-]C=C1)C2=CC=C(C=[C-]2)F.[Ir+3]

InChI

InChI=1S/C12H11PS.C11H8FN.Ir/c14-12-9-5-4-8-11(12)13-10-6-2-1-3-7-10;12-10-6-4-9(5-7-10)11-3-1-2-8-13-11;/h1-9,13-14H;1-4,6-8,11H;/q;-2;+3/p-1