2-[4-chloranyl-3-(trifluoromethyl)benzene-6-id-1-yl]pyridine; iridium

Systemtic Name: 2-[4-chloranyl-3-(trifluoromethyl)benzene-6-id-1-yl]pyridine; iridium Openeye Name: 2-[4-chloro-3-(trifluoromethyl)benzene-6-id-1-yl]pyridine; iridium CAS Name: 2-[4-chloro-3-(trifluoromethyl)-1-benzene-6-idyl]pyridine; iridium IUPAC Name: 2-[4-chloro-3-(trifluoromethyl)benzene-6-id-1-yl]pyridine; iridium Traditional Name: 2-[4-chloro-3-(trifluoromethyl)benzene-6-id-1-yl]pyridine; iridium Formula: C36H18Cl3F9IrN3-3 MolecularWeight: 962.109849

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C2=CC(=C(C=[C-]2)Cl)C(F)(F)F.C1=CC=NC(=C1)C2=CC(=C(C=[C-]2)Cl)C(F)(F)F.C1=CC=NC(=C1)C2=CC(=C(C=[C-]2)Cl)C(F)(F)F.[Ir]

Isomeric SMILES

C1=CC=NC(=C1)C2=CC(=C(C=[C-]2)Cl)C(F)(F)F.C1=CC=NC(=C1)C2=CC(=C(C=[C-]2)Cl)C(F)(F)F.C1=CC=NC(=C1)C2=CC(=C(C=[C-]2)Cl)C(F)(F)F.[Ir]

InChI

InChI=1S/3C12H6ClF3N.Ir/c3*13-10-5-4-8(7-9(10)12(14,15)16)11-3-1-2-6-17-11;/h3*1-3,5-7H;/q3*-1;