iron(3+); 2,17,18,20-tetraphenyl-21,22-dihydroporphyrin; chloride

Systemtic Name: iron(3+); 2,17,18,20-tetraphenyl-21,22-dihydroporphyrin; chloride Openeye Name: ferric 2,17,18,20-tetraphenyl-21,22-dihydroporphyrin chloride CAS Name: iron(3+); 2,17,18,20-tetraphenyl-21,22-dihydroporphyrin; chloride IUPAC Name: iron(3+); 2,17,18,20-tetraphenyl-21,22-dihydroporphyrin; chloride Traditional Name: ferric 2,17,18,20-tetraphenyl-21,22-dihydroporphine chloride Formula: C44H30ClFeN4+2 MolecularWeight: 706.0338

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C(=C4C(=C(C(=N4)C=C5C=CC(=N5)C=C6C=CC(=CC(=C2)N3)N6)C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C9.[Cl-].[Fe+3]

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C(=C4C(=C(C(=N4)C=C5C=CC(=N5)C=C6C=CC(=CC(=C2)N3)N6)C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C9.[Cl-].[Fe+3]

InChI

InChI=1S/C44H30N4.ClH.Fe/c1-5-13-29(14-6-1)38-27-37-26-35-22-21-33(45-35)25-34-23-24-36(46-34)28-39-40(30-15-7-2-8-16-30)41(31-17-9-3-10-18-31)44(48-39)42(43(38)47-37)32-19-11-4-12-20-32;;/h1-28,45,47H;1H;/q;;+3/p-1