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

Systemtic Name: benzene; 7-(2-tert-butylphenyl)iminocyclohepta-1,3,5-trien-1-olate; nickel(2+); triphenylphosphane Openeye Name: nickelous; benzene; 7-(2-tert-butylphenyl)iminocyclohepta-1,3,5-trien-1-olate; triphenylphosphane CAS Name: benzene; 7-(2-tert-butylphenyl)imino-1-cyclohepta-1,3,5-trienolate; nickel(2+); triphenylphosphine IUPAC Name: benzene; 7-(2-tert-butylphenyl)iminocyclohepta-1,3,5-trien-1-olate; nickel(2+); triphenylphosphane Traditional Name: nickelous; benzene; 7-(2-tert-butylphenyl)iminocyclohepta-1,3,5-trien-1-olate; triphenylphosphine Formula: C41H38NNiOP MolecularWeight: 650.413681

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC=C1N=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

CC(C)(C)C1=CC=CC=C1N=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.C17H19NO.C6H5.Ni/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-17(2,3)13-9-7-8-10-14(13)18-15-11-5-4-6-12-16(15)19;1-2-4-6-5-3-1;/h1-15H;4-12H,1-3H3,(H,18,19);1-5H;/q;;-1;+2/p-1