2-[[dipyridin-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]phenol; iron; diperchlorate; hydrate

Systemtic Name: 2-[[dipyridin-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]phenol; iron; diperchlorate; hydrate Openeye Name: 2-[[bis(2-pyridyl)methyl-(2-pyridylmethyl)amino]methyl]phenol; iron; diperchlorate; hydrate CAS Name: 2-[[bis(2-pyridinyl)methyl-(2-pyridinylmethyl)amino]methyl]phenol; iron; diperchlorate; hydrate IUPAC Name: 2-[[dipyridin-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]phenol; iron; diperchlorate; hydrate Traditional Name: 2-[[bis(2-pyridyl)methyl-(2-pyridylmethyl)amino]methyl]phenol; iron; diperchlorate; hydrate Formula: C48H46Cl2Fe2N8O11-2 MolecularWeight: 1093.52184

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CN(CC2=CC=CC=N2)C(C3=CC=CC=N3)C4=CC=CC=N4)O.C1=CC=C(C(=C1)CN(CC2=CC=CC=N2)C(C3=CC=CC=N3)C4=CC=CC=N4)O.O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[Fe].[Fe]

Isomeric SMILES

C1=CC=C(C(=C1)CN(CC2=CC=CC=N2)C(C3=CC=CC=N3)C4=CC=CC=N4)O.C1=CC=C(C(=C1)CN(CC2=CC=CC=N2)C(C3=CC=CC=N3)C4=CC=CC=N4)O.O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[Fe].[Fe]

InChI

InChI=1S/2C24H22N4O.2ClHO4.2Fe.H2O/c2*29-23-13-2-1-9-19(23)17-28(18-20-10-3-6-14-25-20)24(21-11-4-7-15-26-21)22-12-5-8-16-27-22;2*2-1(3,4)5;;;/h2*1-16,24,29H,17-18H2;2*(H,2,3,4,5);;;1H2/p-2