iridium(3+); methylsulfinylmethane; 2-pyridin-2-ylpyridine; trichloride; dihydrate

Systemtic Name: iridium(3+); methylsulfinylmethane; 2-pyridin-2-ylpyridine; trichloride; dihydrate Openeye Name: iridium(3+); methylsulfinylmethane; 2-(2-pyridyl)pyridine; trichloride; dihydrate CAS Name: iridium(3+); methylsulfinylmethane; 2-(2-pyridinyl)pyridine; trichloride; dihydrate IUPAC Name: iridium(3+); methylsulfinylmethane; 2-pyridin-2-ylpyridine; trichloride; dihydrate Traditional Name: iridium(3+); methylsulfinylmethane; 2-(2-pyridyl)pyridine; trichloride; dihydrate Formula: C12H18Cl3IrN2O3S MolecularWeight: 568.92392

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)C.C1=CC=NC(=C1)C2=CC=CC=N2.O.O.[Cl-].[Cl-].[Cl-].[Ir+3]

Isomeric SMILES

CS(=O)C.C1=CC=NC(=C1)C2=CC=CC=N2.O.O.[Cl-].[Cl-].[Cl-].[Ir+3]

InChI

InChI=1S/C10H8N2.C2H6OS.3ClH.Ir.2H2O/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-4(2)3;;;;;;/h1-8H;1-2H3;3*1H;;2*1H2/q;;;;;+3;;/p-3