ethanenitrile; 4-fluoranyl-2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine; iridium

Systemtic Name: ethanenitrile; 4-fluoranyl-2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine; iridium Openeye Name: acetonitrile; 4-fluoro-2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine; iridium CAS Name: acetonitrile; 4-fluoro-2-[4-(trifluoromethyl)-1-benzene-6-idyl]pyridine; iridium IUPAC Name: acetonitrile; 4-fluoro-2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine; iridium Traditional Name: acetonitrile; 4-fluoro-2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine; iridium Formula: C16H12F4IrN3- MolecularWeight: 514.497193

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Descriptors Computed from Structure

Canonical SMILES:

CC#N.CC#N.C1=CN=C(C=C1F)C2=CC=C(C=[C-]2)C(F)(F)F.[Ir]

Isomeric SMILES

CC#N.CC#N.C1=CN=C(C=C1F)C2=CC=C(C=[C-]2)C(F)(F)F.[Ir]

InChI

InChI=1S/C12H6F4N.2C2H3N.Ir/c13-10-5-6-17-11(7-10)8-1-3-9(4-2-8)12(14,15)16;2*1-2-3;/h1,3-7H;2*1H3;/q-1;;;