iridium; pyridine-2-carboxylic acid; 2-[4-(trifluoromethylsulfonyl)benzene-6-id-1-yl]pyridine

Systemtic Name: iridium; pyridine-2-carboxylic acid; 2-[4-(trifluoromethylsulfonyl)benzene-6-id-1-yl]pyridine Openeye Name: iridium; pyridine-2-carboxylic acid; 2-[4-(trifluoromethylsulfonyl)benzene-6-id-1-yl]pyridine CAS Name: iridium; 2-pyridinecarboxylic acid; 2-[4-(trifluoromethylsulfonyl)-1-benzene-6-idyl]pyridine IUPAC Name: iridium; pyridine-2-carboxylic acid; 2-[4-(trifluoromethylsulfonyl)benzene-6-id-1-yl]pyridine Traditional Name: iridium; picolinic acid; 2-(4-triflylbenzene-6-id-1-yl)pyridine Formula: C18H12F3IrN2O4S- MolecularWeight: 601.57609

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H7F3NO2S.C6H5NO2.Ir/c13-12(14,15)19(17,18)10-6-4-9(5-7-10)11-3-1-2-8-16-11;8-6(9)5-3-1-2-4-7-5;/h1-4,6-8H;1-4H,(H,8,9);/q-1;;