ethanenitrile; iridium(3+); 1,2,3,4,5-pentamethylcyclopentane; dihexafluorophosphate

Systemtic Name: ethanenitrile; iridium(3+); 1,2,3,4,5-pentamethylcyclopentane; dihexafluorophosphate Openeye Name: acetonitrile; iridium(3+); 1,2,3,4,5-pentamethylcyclopentane; dihexafluorophosphate CAS Name: acetonitrile; iridium(3+); 1,2,3,4,5-pentamethylcyclopentane; dihexafluorophosphate IUPAC Name: acetonitrile; iridium(3+); 1,2,3,4,5-pentamethylcyclopentane; dihexafluorophosphate Traditional Name: acetonitrile; iridium(3+); 1,2,3,4,5-pentamethylcyclopentane; dihexafluorophosphate Formula: C16H24F12IrN3P2+ MolecularWeight: 740.52722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC#N.CC#N.CC#N.C[C]1[C]([C]([C]([C]1C)C)C)C.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ir+3]

Isomeric SMILES

CC#N.CC#N.CC#N.C[C]1[C]([C]([C]([C]1C)C)C)C.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ir+3]

InChI

InChI=1S/C10H15.3C2H3N.2F6P.Ir/c1-6-7(2)9(4)10(5)8(6)3;3*1-2-3;2*1-7(2,3,4,5)6;/h1-5H3;3*1H3;;;/q;;;;2*-1;+3