iridium(3+); 1,2,3,4,5-pentamethylcyclopentane; 2-pyridin-2-ylpyridine; sulfate; hydrate

Systemtic Name: iridium(3+); 1,2,3,4,5-pentamethylcyclopentane; 2-pyridin-2-ylpyridine; sulfate; hydrate Openeye Name: iridium(3+); 1,2,3,4,5-pentamethylcyclopentane; 2-(2-pyridyl)pyridine; sulfate; hydrate CAS Name: iridium(3+); 1,2,3,4,5-pentamethylcyclopentane; 2-(2-pyridinyl)pyridine; sulfate; hydrate IUPAC Name: iridium(3+); 1,2,3,4,5-pentamethylcyclopentane; 2-pyridin-2-ylpyridine; sulfate; hydrate Traditional Name: iridium(3+); 1,2,3,4,5-pentamethylcyclopentane; 2-(2-pyridyl)pyridine; sulfate; hydrate Formula: C20H25IrN2O5S+ MolecularWeight: 597.7049

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Descriptors Computed from Structure

Canonical SMILES:

C[C]1[C]([C]([C]([C]1C)C)C)C.C1=CC=NC(=C1)C2=CC=CC=N2.O.[O-]S(=O)(=O)[O-].[Ir+3]

Isomeric SMILES

C[C]1[C]([C]([C]([C]1C)C)C)C.C1=CC=NC(=C1)C2=CC=CC=N2.O.[O-]S(=O)(=O)[O-].[Ir+3]

InChI

InChI=1S/C10H8N2.C10H15.Ir.H2O4S.H2O/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-6-7(2)9(4)10(5)8(6)3;;1-5(2,3)4;/h1-8H;1-5H3;;(H2,1,2,3,4);1H2/q;;+3;;/p-2