(2,6-dimethylphenyl)iminozirconium(2+); diphenylphosphorylbenzene; N-[2,6-di(propan-2-yl)phenyl]benzenecarboximidate

Systemtic Name: (2,6-dimethylphenyl)iminozirconium(2+); diphenylphosphorylbenzene; N-[2,6-di(propan-2-yl)phenyl]benzenecarboximidate Openeye Name: N-(2,6-diisopropylphenyl)benzenecarboximidate; (2,6-dimethylphenyl)iminozirconium(2+); diphenylphosphorylbenzene CAS Name: (2,6-dimethylphenyl)iminozirconium(2+); diphenylphosphorylbenzene; N-[2,6-di(propan-2-yl)phenyl]benzenecarboximidate IUPAC Name: (2,6-dimethylphenyl)iminozirconium(2+); diphenylphosphorylbenzene; N-[2,6-di(propan-2-yl)phenyl]benzenecarboximidate Traditional Name: N-(2,6-diisopropylphenyl)benzenecarboximidate; (2,6-dimethylphenyl)iminozirconium(2+); diphenylphosphorylbenzene Formula: C64H68N3O3PZr MolecularWeight: 1049.440781

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C19H23NO.C18H15OP.C8H9N.Zr/c2*1-13(2)16-11-8-12-17(14(3)4)18(16)20-19(21)15-9-6-5-7-10-15;19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-6-4-3-5-7(2)8(6)9;/h2*5-14H,1-4H3,(H,20,21);1-15H;3-5H,1-2H3;/q;;;;+2/p-2