iron(2+); 5,10,15-tris[2,6-bis(chloranyl)phenyl]-20-[2,3,4,5,6-pentakis(fluoranyl)phenyl]porphyrin-22,24-diide

Systemtic Name: iron(2+); 5,10,15-tris[2,6-bis(chloranyl)phenyl]-20-[2,3,4,5,6-pentakis(fluoranyl)phenyl]porphyrin-22,24-diide Openeye Name: ferrous 5,10,15-tris(2,6-dichlorophenyl)-20-(2,3,4,5,6-pentafluorophenyl)porphyrin-22,24-diide CAS Name: iron(2+); 5,10,15-tris(2,6-dichlorophenyl)-20-(2,3,4,5,6-pentafluorophenyl)porphyrin-22,24-diide IUPAC Name: iron(2+); 5,10,15-tris(2,6-dichlorophenyl)-20-(2,3,4,5,6-pentafluorophenyl)porphyrin-22,24-diide Traditional Name: ferrous 5,10,15-tris(2,6-dichlorophenyl)-20-(2,3,4,5,6-pentafluorophenyl)porphine-22,24-diide Formula: C44H17Cl6F5FeN4 MolecularWeight: 965.187596

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)Cl)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=C(C=CC=C7Cl)Cl)C8=C(C=CC=C8Cl)Cl)C=C4)C9=C(C(=C(C(=C9F)F)F)F)F)[N-]3)Cl.[Fe+2]

Isomeric SMILES

C1=CC(=C(C(=C1)Cl)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=C(C=CC=C7Cl)Cl)C8=C(C=CC=C8Cl)Cl)C=C4)C9=C(C(=C(C(=C9F)F)F)F)F)[N-]3)Cl.[Fe+2]

InChI

InChI=1S/C44H17Cl6F5N4.Fe/c45-18-4-1-5-19(46)32(18)35-24-10-12-26(56-24)36(33-20(47)6-2-7-21(33)48)28-14-16-30(58-28)38(39-40(51)42(53)44(55)43(54)41(39)52)31-17-15-29(59-31)37(27-13-11-25(35)57-27)34-22(49)8-3-9-23(34)50;/h1-17H;/q-2;+2