iron(3+); trimethyl-[2,3,5,6-tetrakis(fluoranyl)-4-[10,15,20-tris[2,3,5,6-tetrakis(fluoranyl)-4-(trimethylazaniumyl)phenyl]porphyrin-22,24-diid-5-yl]phenyl]azanium; tris(fluoranyl)methanesulfonate

Systemtic Name: iron(3+); trimethyl-[2,3,5,6-tetrakis(fluoranyl)-4-[10,15,20-tris[2,3,5,6-tetrakis(fluoranyl)-4-(trimethylazaniumyl)phenyl]porphyrin-22,24-diid-5-yl]phenyl]azanium; tris(fluoranyl)methanesulfonate Openeye Name: ferric; trifluoromethanesulfonate; trimethyl-[2,3,5,6-tetrafluoro-4-[10,15,20-tris[2,3,5,6-tetrafluoro-4-(trimethylammonio)phenyl]porphyrin-22,24-diid-5-yl]phenyl]ammonium CAS Name: iron(3+); trifluoromethanesulfonate; trimethyl-[2,3,5,6-tetrafluoro-4-[10,15,20-tris[2,3,5,6-tetrafluoro-4-(trimethylammonio)phenyl]-5-porphyrin-22,24-diidyl]phenyl]ammonium IUPAC Name: iron(3+); trifluoromethanesulfonate; trimethyl-[2,3,5,6-tetrafluoro-4-[10,15,20-tris[2,3,5,6-tetrafluoro-4-(trimethylazaniumyl)phenyl]porphyrin-22,24-diid-5-yl]phenyl]azanium Traditional Name: ferric trimethyl-[2,3,5,6-tetrafluoro-4-[10,15,20-tris[2,3,5,6-tetrafluoro-4-(trimethylammonio)phenyl]porphine-22,24-diid-5-yl]phenyl]ammonium pentatriflate Formula: C61H44F31FeN8O15S5 MolecularWeight: 1934.167159

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)C1=C(C(=C(C(=C1F)F)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=C(C(=C(C(=C7F)F)[N+](C)(C)C)F)F)C8=C(C(=C(C(=C8F)F)[N+](C)(C)C)F)F)C=C4)C9=C(C(=C(C(=C9F)F)[N+](C)(C)C)F)F)[N-]3)F)F.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Fe+3]

Isomeric SMILES

C[N+](C)(C)C1=C(C(=C(C(=C1F)F)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=C(C(=C(C(=C7F)F)[N+](C)(C)C)F)F)C8=C(C(=C(C(=C8F)F)[N+](C)(C)C)F)F)C=C4)C9=C(C(=C(C(=C9F)F)[N+](C)(C)C)F)F)[N-]3)F)F.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Fe+3]

InChI

InChI=1S/C56H44F16N8.5CHF3O3S.Fe/c1-77(2,3)53-45(65)37(57)33(38(58)46(53)66)29-21-13-15-23(73-21)30(34-39(59)47(67)54(78(4,5)6)48(68)40(34)60)25-17-19-27(75-25)32(36-43(63)51(71)56(80(10,11)12)52(72)44(36)64)28-20-18-26(76-28)31(24-16-14-22(29)74-24)35-41(61)49(69)55(79(7,8)9)50(70)42(35)62;5*2-1(3,4)8(5,6)7;/h13-20H,1-12H3;5*(H,5,6,7);/q+2;;;;;;+3/p-5