manganese(3+); 5,10,15,20-tetrakis[2,3,4,5,6-pentakis(fluoranyl)phenyl]-21,22-dihydroporphyrin

Systemtic Name: manganese(3+); 5,10,15,20-tetrakis[2,3,4,5,6-pentakis(fluoranyl)phenyl]-21,22-dihydroporphyrin Openeye Name: manganic 5,10,15,20-tetrakis(2,3,4,5,6-pentafluorophenyl)-21,22-dihydroporphyrin CAS Name: manganese(3+); 5,10,15,20-tetrakis(2,3,4,5,6-pentafluorophenyl)-21,22-dihydroporphyrin IUPAC Name: manganese(3+); 5,10,15,20-tetrakis(2,3,4,5,6-pentafluorophenyl)-21,22-dihydroporphyrin Traditional Name: manganic 5,10,15,20-tetrakis(2,3,4,5,6-pentafluorophenyl)-21,22-dihydroporphine Formula: C44H10F20MnN4+3 MolecularWeight: 1029.483113

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C3=CC=C(N3)C(=C4C=CC(=N4)C(=C5C=CC(=N5)C(=C1N2)C6=C(C(=C(C(=C6F)F)F)F)F)C7=C(C(=C(C(=C7F)F)F)F)F)C8=C(C(=C(C(=C8F)F)F)F)F)C9=C(C(=C(C(=C9F)F)F)F)F.[Mn+3]

Isomeric SMILES

C1=CC2=C(C3=CC=C(N3)C(=C4C=CC(=N4)C(=C5C=CC(=N5)C(=C1N2)C6=C(C(=C(C(=C6F)F)F)F)F)C7=C(C(=C(C(=C7F)F)F)F)F)C8=C(C(=C(C(=C8F)F)F)F)F)C9=C(C(=C(C(=C9F)F)F)F)F.[Mn+3]

InChI

InChI=1S/C44H10F20N4.Mn/c45-25-21(26(46)34(54)41(61)33(25)53)17-9-1-2-10(65-9)18(22-27(47)35(55)42(62)36(56)28(22)48)12-5-6-14(67-12)20(24-31(51)39(59)44(64)40(60)32(24)52)16-8-7-15(68-16)19(13-4-3-11(17)66-13)23-29(49)37(57)43(63)38(58)30(23)50;/h1-8,65-66H;/q;+3