2-isocyano-2-methyl-propane; 1,2,3,4,5-pentamethylcyclopentane; samarium(3+); tricyanide

Systemtic Name: 2-isocyano-2-methyl-propane; 1,2,3,4,5-pentamethylcyclopentane; samarium(3+); tricyanide Openeye Name: 2-isocyano-2-methyl-propane; 1,2,3,4,5-pentamethylcyclopentane; samarium(3+); tricyanide CAS Name: 2-isocyano-2-methylpropane; 1,2,3,4,5-pentamethylcyclopentane; samarium(3+); tricyanide IUPAC Name: 2-isocyano-2-methylpropane; 1,2,3,4,5-pentamethylcyclopentane; samarium(3+); tricyanide Traditional Name: 2-isocyano-2-methyl-propane; 1,2,3,4,5-pentamethylcyclopentane; samarium(3+); tricyanide Formula: C78H117N6Sm3+6 MolecularWeight: 1589.88378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[C]1[C]([C]([C]([C]1C)C)C)C.C[C]1[C]([C]([C]([C]1C)C)C)C.C[C]1[C]([C]([C]([C]1C)C)C)C.C[C]1[C]([C]([C]([C]1C)C)C)C.C[C]1[C]([C]([C]([C]1C)C)C)C.C[C]1[C]([C]([C]([C]1C)C)C)C.CC(C)(C)[N+]#[C-].CC(C)(C)[N+]#[C-].CC(C)(C)[N+]#[C-].[C-]#N.[C-]#N.[C-]#N.[Sm+3].[Sm+3].[Sm+3]

Isomeric SMILES

C[C]1[C]([C]([C]([C]1C)C)C)C.C[C]1[C]([C]([C]([C]1C)C)C)C.C[C]1[C]([C]([C]([C]1C)C)C)C.C[C]1[C]([C]([C]([C]1C)C)C)C.C[C]1[C]([C]([C]([C]1C)C)C)C.C[C]1[C]([C]([C]([C]1C)C)C)C.CC(C)(C)[N+]#[C-].CC(C)(C)[N+]#[C-].CC(C)(C)[N+]#[C-].[C-]#N.[C-]#N.[C-]#N.[Sm+3].[Sm+3].[Sm+3]

InChI

InChI=1S/6C10H15.3C5H9N.3CN.3Sm/c6*1-6-7(2)9(4)10(5)8(6)3;3*1-5(2,3)6-4;3*1-2;;;/h6*1-5H3;3*1-3H3;;;;;;/q;;;;;;;;;3*-1;3*+3