iron(3+); pyridine; pyridin-2-ylcarbonyl-(2-pyridin-2-ylcarbonylazanidylphenyl)azanide; perchlorate

Systemtic Name: iron(3+); pyridine; pyridin-2-ylcarbonyl-(2-pyridin-2-ylcarbonylazanidylphenyl)azanide; perchlorate Openeye Name: ferric; pyridine; pyridine-2-carbonyl-[2-(pyridine-2-carbonylazanidyl)phenyl]azanide; perchlorate CAS Name: iron(3+); [oxo(2-pyridinyl)methyl]-[2-[oxo(2-pyridinyl)methyl]azanidylphenyl]azanide; pyridine; perchlorate IUPAC Name: iron(3+); pyridine; pyridine-2-carbonyl-[2-(pyridine-2-carbonylazanidyl)phenyl]azanide; perchlorate Traditional Name: ferric; picolinoyl-(2-picolinoylazanidylphenyl)azanide; pyridine; perchlorate Formula: C28H22ClFeN6O6 MolecularWeight: 629.80888

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC=C1.C1=CC=NC=C1.C1=CC=C(C(=C1)[N-]C(=O)C2=CC=CC=N2)[N-]C(=O)C3=CC=CC=N3.[O-]Cl(=O)(=O)=O.[Fe+3]

Isomeric SMILES

C1=CC=NC=C1.C1=CC=NC=C1.C1=CC=C(C(=C1)[N-]C(=O)C2=CC=CC=N2)[N-]C(=O)C3=CC=CC=N3.[O-]Cl(=O)(=O)=O.[Fe+3]

InChI

InChI=1S/C18H14N4O2.2C5H5N.ClHO4.Fe/c23-17(15-9-3-5-11-19-15)21-13-7-1-2-8-14(13)22-18(24)16-10-4-6-12-20-16;2*1-2-4-6-5-3-1;2-1(3,4)5;/h1-12H,(H2,19,20,21,22,23,24);2*1-5H;(H,2,3,4,5);/q;;;;+3/p-3