2-isocyano-2-methyl-propane; nickel(2+); 2-phenylethynylbenzene

Systemtic Name: 2-isocyano-2-methyl-propane; nickel(2+); 2-phenylethynylbenzene Openeye Name: nickelous; 2-isocyano-2-methyl-propane; 2-phenylethynylbenzene CAS Name: 2-isocyano-2-methylpropane; nickel(2+); 2-phenylethynylbenzene IUPAC Name: 2-isocyano-2-methylpropane; nickel(2+); 2-phenylethynylbenzene Traditional Name: nickelous; 2-isocyano-2-methyl-propane; 2-phenylethynylbenzene Formula: C24H28N2Ni+2 MolecularWeight: 403.18592

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[N+]#[C-].CC(C)(C)[N+]#[C-].C1=CC=C(C=C1)C#CC2=CC=CC=C2.[Ni+2]

Isomeric SMILES

CC(C)(C)[N+]#[C-].CC(C)(C)[N+]#[C-].C1=CC=C(C=C1)C#CC2=CC=CC=C2.[Ni+2]

InChI

InChI=1S/C14H10.2C5H9N.Ni/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;2*1-5(2,3)6-4;/h1-10H;2*1-3H3;/q;;;+2