2-[2,4-bis(fluoranyl)benzene-6-id-1-yl]pyridine; iridium; thiocyanate

Systemtic Name: 2-[2,4-bis(fluoranyl)benzene-6-id-1-yl]pyridine; iridium; thiocyanate Openeye Name: 2-(2,4-difluorobenzene-6-id-1-yl)pyridine; iridium; thiocyanate CAS Name: 2-(2,4-difluoro-1-benzene-6-idyl)pyridine; iridium; thiocyanate IUPAC Name: 2-(2,4-difluorobenzene-6-id-1-yl)pyridine; iridium; thiocyanate Traditional Name: 2-(2,4-difluorobenzene-6-id-1-yl)pyridine; iridium; thiocyanate Formula: C23H12F4IrN3S-3 MolecularWeight: 630.637093

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C11H6F2N.CHNS.Ir/c2*12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;2-1-3;/h2*1-4,6-7H;3H;/q2*-1;;/p-1