2-isocyano-1,3-dimethyl-benzene; palladium

Systemtic Name: 2-isocyano-1,3-dimethyl-benzene; palladium Openeye Name: 2-isocyano-1,3-dimethyl-benzene; palladium CAS Name: 2-isocyano-1,3-dimethylbenzene; palladium IUPAC Name: 2-isocyano-1,3-dimethylbenzene; palladium Traditional Name: 2-isocyano-1,3-dimethyl-benzene; palladium Formula: C54H54N6Pd3 MolecularWeight: 1106.30676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)[N+]#[C-].CC1=C(C(=CC=C1)C)[N+]#[C-].CC1=C(C(=CC=C1)C)[N+]#[C-].CC1=C(C(=CC=C1)C)[N+]#[C-].CC1=C(C(=CC=C1)C)[N+]#[C-].CC1=C(C(=CC=C1)C)[N+]#[C-].[Pd].[Pd].[Pd]

Isomeric SMILES

CC1=C(C(=CC=C1)C)[N+]#[C-].CC1=C(C(=CC=C1)C)[N+]#[C-].CC1=C(C(=CC=C1)C)[N+]#[C-].CC1=C(C(=CC=C1)C)[N+]#[C-].CC1=C(C(=CC=C1)C)[N+]#[C-].CC1=C(C(=CC=C1)C)[N+]#[C-].[Pd].[Pd].[Pd]

InChI

InChI=1S/6C9H9N.3Pd/c6*1-7-5-4-6-8(2)9(7)10-3;;;/h6*4-6H,1-2H3;;;