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

Systemtic Name: benzene; 7-(2,6-diphenylphenyl)iminocyclohepta-1,3,5-trien-1-olate; nickel(2+); triphenylphosphane Openeye Name: nickelous; benzene; 7-(2,6-diphenylphenyl)iminocyclohepta-1,3,5-trien-1-olate; triphenylphosphane CAS Name: benzene; 7-(2,6-diphenylphenyl)imino-1-cyclohepta-1,3,5-trienolate; nickel(2+); triphenylphosphine IUPAC Name: benzene; 7-(2,6-diphenylphenyl)iminocyclohepta-1,3,5-trien-1-olate; nickel(2+); triphenylphosphane Traditional Name: nickelous; benzene; 7-(2,6-diphenylphenyl)iminocyclohepta-1,3,5-trien-1-olate; triphenylphosphine Formula: C49H38NNiOP MolecularWeight: 746.499281

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[C-]C=C1.C1=CC=C(C=C1)C2=C(C(=CC=C2)C3=CC=CC=C3)N=C4C=CC=CC=C4[O-].C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Ni+2]

Isomeric SMILES

C1=CC=[C-]C=C1.C1=CC=C(C=C1)C2=C(C(=CC=C2)C3=CC=CC=C3)N=C4C=CC=CC=C4[O-].C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Ni+2]

InChI

InChI=1S/C25H19NO.C18H15P.C6H5.Ni/c27-24-18-9-3-8-17-23(24)26-25-21(19-11-4-1-5-12-19)15-10-16-22(25)20-13-6-2-7-14-20;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-4-6-5-3-1;/h1-18H,(H,26,27);1-15H;1-5H;/q;;-1;+2/p-1