bis(chloranyl)iridium(1+); 2-(4-carboxypyridin-2-yl)pyridine-4-carboxylic acid; 1,2,3,4,5-pentamethylcyclopentane

Systemtic Name: bis(chloranyl)iridium(1+); 2-(4-carboxypyridin-2-yl)pyridine-4-carboxylic acid; 1,2,3,4,5-pentamethylcyclopentane Openeye Name: 2-(4-carboxy-2-pyridyl)pyridine-4-carboxylic acid; dichloroiridium(1+); 1,2,3,4,5-pentamethylcyclopentane CAS Name: 2-(4-carboxy-2-pyridinyl)-4-pyridinecarboxylic acid; dichloroiridium(1+); 1,2,3,4,5-pentamethylcyclopentane IUPAC Name: 2-(4-carboxypyridin-2-yl)pyridine-4-carboxylic acid; dichloroiridium(1+); 1,2,3,4,5-pentamethylcyclopentane Traditional Name: 2-(4-carboxy-2-pyridyl)isonicotinic acid; dichloroiridium(1+); 1,2,3,4,5-pentamethylcyclopentane Formula: C22H23Cl2IrN2O4+ MolecularWeight: 642.55202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[C]1[C]([C]([C]([C]1C)C)C)C.C1=CN=C(C=C1C(=O)O)C2=NC=CC(=C2)C(=O)O.Cl[Ir+]Cl

Isomeric SMILES

C[C]1[C]([C]([C]([C]1C)C)C)C.C1=CN=C(C=C1C(=O)O)C2=NC=CC(=C2)C(=O)O.Cl[Ir+]Cl

InChI

InChI=1S/C12H8N2O4.C10H15.2ClH.Ir/c15-11(16)7-1-3-13-9(5-7)10-6-8(12(17)18)2-4-14-10;1-6-7(2)9(4)10(5)8(6)3;;;/h1-6H,(H,15,16)(H,17,18);1-5H3;2*1H;/q;;;;+3/p-2