benzene; 7-(2,6-dimethylphenyl)iminocyclohepta-1,3,5-trien-1-olate; nickel(2+); triphenylphosphane

Systemtic Name: benzene; 7-(2,6-dimethylphenyl)iminocyclohepta-1,3,5-trien-1-olate; nickel(2+); triphenylphosphane Openeye Name: nickelous; benzene; 7-(2,6-dimethylphenyl)iminocyclohepta-1,3,5-trien-1-olate; triphenylphosphane CAS Name: benzene; 7-(2,6-dimethylphenyl)imino-1-cyclohepta-1,3,5-trienolate; nickel(2+); triphenylphosphine IUPAC Name: benzene; 7-(2,6-dimethylphenyl)iminocyclohepta-1,3,5-trien-1-olate; nickel(2+); triphenylphosphane Traditional Name: nickelous; benzene; 7-(2,6-dimethylphenyl)iminocyclohepta-1,3,5-trien-1-olate; triphenylphosphine Formula: C39H34NNiOP MolecularWeight: 622.360521

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)N=C2C=CC=CC=C2[O-].C1=CC=[C-]C=C1.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Ni+2]

Isomeric SMILES

CC1=C(C(=CC=C1)C)N=C2C=CC=CC=C2[O-].C1=CC=[C-]C=C1.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Ni+2]

InChI

InChI=1S/C18H15P.C15H15NO.C6H5.Ni/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-11-7-6-8-12(2)15(11)16-13-9-4-3-5-10-14(13)17;1-2-4-6-5-3-1;/h1-15H;3-10H,1-2H3,(H,16,17);1-5H;/q;;-1;+2/p-1