21,22-dihydroporphyrin; iron(3+); chloride

Systemtic Name: 21,22-dihydroporphyrin; iron(3+); chloride Openeye Name: ferric 21,22-dihydroporphyrin chloride CAS Name: 21,22-dihydroporphyrin; iron(3+); chloride IUPAC Name: 21,22-dihydroporphyrin; iron(3+); chloride Traditional Name: ferric 21,22-dihydroporphine chloride Formula: C20H14ClFeN4+2 MolecularWeight: 401.64996

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=CC3=CC=C(N3)C=C4C=CC(=N4)C=C5C=CC(=N5)C=C1N2.[Cl-].[Fe+3]

Isomeric SMILES

C1=CC2=CC3=CC=C(N3)C=C4C=CC(=N4)C=C5C=CC(=N5)C=C1N2.[Cl-].[Fe+3]

InChI

InChI=1S/C20H14N4.ClH.Fe/c1-2-14-10-16-5-6-18(23-16)12-20-8-7-19(24-20)11-17-4-3-15(22-17)9-13(1)21-14;;/h1-12,21-22H;1H;/q;;+3/p-1