iridium(3+); 1,2,3,4,5-pentamethylcyclopentane; propan-2-one; tris(fluoranyl)methanesulfonate

Systemtic Name: iridium(3+); 1,2,3,4,5-pentamethylcyclopentane; propan-2-one; tris(fluoranyl)methanesulfonate Openeye Name: acetone; iridium(3+); 1,2,3,4,5-pentamethylcyclopentane; trifluoromethanesulfonate CAS Name: iridium(3+); 1,2,3,4,5-pentamethylcyclopentane; 2-propanone; trifluoromethanesulfonate IUPAC Name: iridium(3+); 1,2,3,4,5-pentamethylcyclopentane; propan-2-one; trifluoromethanesulfonate Traditional Name: acetone; iridium(3+); 1,2,3,4,5-pentamethylcyclopentane; ditriflate Formula: C21H33F6IrO9S2+ MolecularWeight: 799.818739

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Descriptors Computed from Structure

Canonical SMILES:

C[C]1[C]([C]([C]([C]1C)C)C)C.CC(=O)C.CC(=O)C.CC(=O)C.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Ir+3]

Isomeric SMILES

C[C]1[C]([C]([C]([C]1C)C)C)C.CC(=O)C.CC(=O)C.CC(=O)C.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Ir+3]

InChI

InChI=1S/C10H15.3C3H6O.2CHF3O3S.Ir/c1-6-7(2)9(4)10(5)8(6)3;3*1-3(2)4;2*2-1(3,4)8(5,6)7;/h1-5H3;3*1-2H3;2*(H,5,6,7);/q;;;;;;+3/p-2