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

Systemtic Name: 2-isocyano-1,3-dimethyl-benzene; nickel Openeye Name: 2-isocyano-1,3-dimethyl-benzene; nickel CAS Name: 2-isocyano-1,3-dimethylbenzene; nickel IUPAC Name: 2-isocyano-1,3-dimethylbenzene; nickel Traditional Name: 2-isocyano-1,3-dimethyl-benzene; nickel Formula: C36H36N4Ni MolecularWeight: 583.39124

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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-].[Ni]

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-].[Ni]

InChI

InChI=1S/4C9H9N.Ni/c4*1-7-5-4-6-8(2)9(7)10-3;/h4*4-6H,1-2H3;