benzene; 7-(2-tert-butyl-6-methyl-phenyl)iminocyclohepta-1,3,5-trien-1-olate; nickel(2+); triphenylphosphane

Systemtic Name: benzene; 7-(2-tert-butyl-6-methyl-phenyl)iminocyclohepta-1,3,5-trien-1-olate; nickel(2+); triphenylphosphane Openeye Name: nickelous; benzene; 7-(2-tert-butyl-6-methyl-phenyl)iminocyclohepta-1,3,5-trien-1-olate; triphenylphosphane CAS Name: benzene; 7-(2-tert-butyl-6-methylphenyl)imino-1-cyclohepta-1,3,5-trienolate; nickel(2+); triphenylphosphine IUPAC Name: benzene; 7-(2-tert-butyl-6-methylphenyl)iminocyclohepta-1,3,5-trien-1-olate; nickel(2+); triphenylphosphane Traditional Name: nickelous; benzene; 7-(2-tert-butyl-6-methyl-phenyl)iminocyclohepta-1,3,5-trien-1-olate; triphenylphosphine Formula: C42H40NNiOP MolecularWeight: 664.440261

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C(C)(C)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(C)(C)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/C18H21NO.C18H15P.C6H5.Ni/c1-13-9-8-10-14(18(2,3)4)17(13)19-15-11-6-5-7-12-16(15)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;/h5-12H,1-4H3,(H,19,20);1-15H;1-5H;/q;;-1;+2/p-1