2,4-ditert-butyl-6-(1,4,5-triphenylimidazol-2-yl)phenolate; nickel(2+)

Systemtic Name: 2,4-ditert-butyl-6-(1,4,5-triphenylimidazol-2-yl)phenolate; nickel(2+) Openeye Name: nickelous 2,4-ditert-butyl-6-(1,4,5-triphenylimidazol-2-yl)phenolate CAS Name: 2,4-ditert-butyl-6-(1,4,5-triphenyl-2-imidazolyl)phenolate; nickel(2+) IUPAC Name: 2,4-ditert-butyl-6-(1,4,5-triphenylimidazol-2-yl)phenolate; nickel(2+) Traditional Name: nickelous 2,4-ditert-butyl-6-(1,4,5-triphenylimidazol-2-yl)phenolate Formula: C70H70N4NiO2 MolecularWeight: 1058.0238

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C(=C1)C2=NC(=C(N2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5)[O-])C(C)(C)C.CC(C)(C)C1=CC(=C(C(=C1)C2=NC(=C(N2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5)[O-])C(C)(C)C.[Ni+2]

Isomeric SMILES

CC(C)(C)C1=CC(=C(C(=C1)C2=NC(=C(N2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5)[O-])C(C)(C)C.CC(C)(C)C1=CC(=C(C(=C1)C2=NC(=C(N2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5)[O-])C(C)(C)C.[Ni+2]

InChI

InChI=1S/2C35H36N2O.Ni/c2*1-34(2,3)26-22-28(32(38)29(23-26)35(4,5)6)33-36-30(24-16-10-7-11-17-24)31(25-18-12-8-13-19-25)37(33)27-20-14-9-15-21-27;/h2*7-23,38H,1-6H3;/q;;+2/p-2