nickel(2+); 5-(2-phenylpropan-2-yl)-2-[[4-(2-phenylpropan-2-yl)phenyl]amino]benzoate

Systemtic Name: nickel(2+); 5-(2-phenylpropan-2-yl)-2-[[4-(2-phenylpropan-2-yl)phenyl]amino]benzoate Openeye Name: nickelous 5-(1-methyl-1-phenyl-ethyl)-2-[4-(1-methyl-1-phenyl-ethyl)anilino]benzoate CAS Name: nickel(2+); 5-(2-phenylpropan-2-yl)-2-[4-(2-phenylpropan-2-yl)anilino]benzoate IUPAC Name: nickel(2+); 5-(2-phenylpropan-2-yl)-2-[4-(2-phenylpropan-2-yl)anilino]benzoate Traditional Name: nickelous 5-cumyl-2-(4-cumylanilino)benzoate Formula: C62H60N2NiO4 MolecularWeight: 955.8442

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)NC3=C(C=C(C=C3)C(C)(C)C4=CC=CC=C4)C(=O)[O-].CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)NC3=C(C=C(C=C3)C(C)(C)C4=CC=CC=C4)C(=O)[O-].[Ni+2]

Isomeric SMILES

CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)NC3=C(C=C(C=C3)C(C)(C)C4=CC=CC=C4)C(=O)[O-].CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)NC3=C(C=C(C=C3)C(C)(C)C4=CC=CC=C4)C(=O)[O-].[Ni+2]

InChI

InChI=1S/2C31H31NO2.Ni/c2*1-30(2,22-11-7-5-8-12-22)24-15-18-26(19-16-24)32-28-20-17-25(21-27(28)29(33)34)31(3,4)23-13-9-6-10-14-23;/h2*5-21,32H,1-4H3,(H,33,34);/q;;+2/p-2