iron(3+); 5,10,15,20-tetraphenylporphyrin-22,24-diide; perchlorate

Systemtic Name: iron(3+); 5,10,15,20-tetraphenylporphyrin-22,24-diide; perchlorate Openeye Name: ferric 5,10,15,20-tetraphenylporphyrin-22,24-diide perchlorate CAS Name: iron(3+); 5,10,15,20-tetraphenylporphyrin-22,24-diide; perchlorate IUPAC Name: iron(3+); 5,10,15,20-tetraphenylporphyrin-22,24-diide; perchlorate Traditional Name: ferric 5,10,15,20-tetraphenylporphine-22,24-diide perchlorate Formula: C44H28ClFeN4O4 MolecularWeight: 768.01552

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC=C8)C=C4)C9=CC=CC=C9)[N-]3.[O-]Cl(=O)(=O)=O.[Fe+3]

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC=C8)C=C4)C9=CC=CC=C9)[N-]3.[O-]Cl(=O)(=O)=O.[Fe+3]

InChI

InChI=1S/C44H28N4.ClHO4.Fe/c1-5-13-29(14-6-1)41-33-21-23-35(45-33)42(30-15-7-2-8-16-30)37-25-27-39(47-37)44(32-19-11-4-12-20-32)40-28-26-38(48-40)43(31-17-9-3-10-18-31)36-24-22-34(41)46-36;2-1(3,4)5;/h1-28H;(H,2,3,4,5);/q-2;;+3/p-1