iron(2+); [5-[oxidanyl(dipyridin-2-yl)methyl]thiophen-2-yl]-dipyridin-2-yl-methanol; diperchlorate

Systemtic Name: iron(2+); [5-[oxidanyl(dipyridin-2-yl)methyl]thiophen-2-yl]-dipyridin-2-yl-methanol; diperchlorate Openeye Name: ferrous [5-[hydroxy-bis(2-pyridyl)methyl]-2-thienyl]-bis(2-pyridyl)methanol diperchlorate CAS Name: [5-[hydroxy-bis(2-pyridinyl)methyl]-2-thiophenyl]-bis(2-pyridinyl)methanol; iron(2+); diperchlorate IUPAC Name: [5-[hydroxy(dipyridin-2-yl)methyl]thiophen-2-yl]-dipyridin-2-ylmethanol; iron(2+); diperchlorate Traditional Name: ferrous [5-[hydroxy-bis(2-pyridyl)methyl]-2-thienyl]-bis(2-pyridyl)methanol diperchlorate Formula: C26H20Cl2FeN4O10S MolecularWeight: 707.2738

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C(C2=CC=CC=N2)(C3=CC=C(S3)C(C4=CC=CC=N4)(C5=CC=CC=N5)O)O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[Fe+2]

Isomeric SMILES

C1=CC=NC(=C1)C(C2=CC=CC=N2)(C3=CC=C(S3)C(C4=CC=CC=N4)(C5=CC=CC=N5)O)O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[Fe+2]

InChI

InChI=1S/C26H20N4O2S.2ClHO4.Fe/c31-25(19-9-1-5-15-27-19,20-10-2-6-16-28-20)23-13-14-24(33-23)26(32,21-11-3-7-17-29-21)22-12-4-8-18-30-22;2*2-1(3,4)5;/h1-18,31-32H;2*(H,2,3,4,5);/q;;;+2/p-2