benzonitrilium; 1,2,3,4,5-pentamethylcyclopentane; ruthenium; ruthenium(1+)

Systemtic Name: benzonitrilium; 1,2,3,4,5-pentamethylcyclopentane; ruthenium; ruthenium(1+) Openeye Name: benzonitrilium; 1,2,3,4,5-pentamethylcyclopentane; ruthenium; ruthenium(1+) CAS Name: benzonitrilium; 1,2,3,4,5-pentamethylcyclopentane; ruthenium; ruthenium(1+) IUPAC Name: benzonitrilium; 1,2,3,4,5-pentamethylcyclopentane; ruthenium; ruthenium(1+) Traditional Name: benzonitrilium; 1,2,3,4,5-pentamethylcyclopentane; ruthenium; ruthenium(1+) Formula: C37H51NRu3+3 MolecularWeight: 813.01754

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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.C1=CC=C(C=C1)C#[NH+].[Ru].[Ru+].[Ru+]

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.C1=CC=C(C=C1)C#[NH+].[Ru].[Ru+].[Ru+]

InChI

InChI=1S/3C10H15.C7H5N.3Ru/c3*1-6-7(2)9(4)10(5)8(6)3;8-6-7-4-2-1-3-5-7;;;/h3*1-5H3;1-5H;;;/q;;;;;2*+1/p+1