2-[[bis(pyridin-2-ylmethyl)amino]methyl]-6-[[(2-hydroxyphenyl)methyl-(pyridin-2-ylmethyl)amino]methyl]-4-methyl-phenol; ethanoic acid; iron; nickel; perchlorate

Systemtic Name: 2-[[bis(pyridin-2-ylmethyl)amino]methyl]-6-[[(2-hydroxyphenyl)methyl-(pyridin-2-ylmethyl)amino]methyl]-4-methyl-phenol; ethanoic acid; iron; nickel; perchlorate Openeye Name: acetic acid; 2-[[bis(2-pyridylmethyl)amino]methyl]-6-[[(2-hydroxyphenyl)methyl-(2-pyridylmethyl)amino]methyl]-4-methyl-phenol; iron; nickel; perchlorate CAS Name: acetic acid; 2-[[bis(2-pyridinylmethyl)amino]methyl]-6-[[(2-hydroxyphenyl)methyl-(2-pyridinylmethyl)amino]methyl]-4-methylphenol; iron; nickel; perchlorate IUPAC Name: acetic acid; 2-[[bis(pyridin-2-ylmethyl)amino]methyl]-6-[[(2-hydroxyphenyl)methyl-(pyridin-2-ylmethyl)amino]methyl]-4-methylphenol; iron; nickel; perchlorate Traditional Name: acetic acid; 2-[[bis(2-pyridylmethyl)amino]methyl]-4-methyl-6-[[2-pyridylmethyl(salicyl)amino]methyl]phenol; iron; nickel; perchlorate Formula: C38H43ClFeN5NiO10- MolecularWeight: 879.76692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)CN(CC2=CC=CC=N2)CC3=CC=CC=N3)O)CN(CC4=CC=CC=C4O)CC5=CC=CC=N5.CC(=O)O.CC(=O)O.[O-]Cl(=O)(=O)=O.[Fe].[Ni]

Isomeric SMILES

CC1=CC(=C(C(=C1)CN(CC2=CC=CC=N2)CC3=CC=CC=N3)O)CN(CC4=CC=CC=C4O)CC5=CC=CC=N5.CC(=O)O.CC(=O)O.[O-]Cl(=O)(=O)=O.[Fe].[Ni]

InChI

InChI=1S/C34H35N5O2.2C2H4O2.ClHO4.Fe.Ni/c1-26-18-28(21-38(23-30-11-4-7-15-35-30)20-27-10-2-3-14-33(27)40)34(41)29(19-26)22-39(24-31-12-5-8-16-36-31)25-32-13-6-9-17-37-32;2*1-2(3)4;2-1(3,4)5;;/h2-19,40-41H,20-25H2,1H3;2*1H3,(H,3,4);(H,2,3,4,5);;/p-1