manganese(3+); (E)-[(17Z)-17-(oxidanidylmethylidene)-5,10,15-tris[2,3,4,5,6-pentakis(fluoranyl)phenyl]-7,8-dihydrocorrin-23-id-3-ylidene]methanolate; pyridine

Systemtic Name: manganese(3+); (E)-[(17Z)-17-(oxidanidylmethylidene)-5,10,15-tris[2,3,4,5,6-pentakis(fluoranyl)phenyl]-7,8-dihydrocorrin-23-id-3-ylidene]methanolate; pyridine Openeye Name: manganic; (E)-[(17Z)-17-(oxidomethylene)-5,10,15-tris(2,3,4,5,6-pentafluorophenyl)-7,8-dihydrocorrin-23-id-3-ylidene]methanolate; pyridine CAS Name: manganese(3+); (E)-[(17Z)-17-(oxidomethylidene)-5,10,15-tris(2,3,4,5,6-pentafluorophenyl)-7,8-dihydrocorrin-23-id-3-ylidene]methanolate; pyridine IUPAC Name: manganese(3+); (E)-[(17Z)-17-(oxidomethylidene)-5,10,15-tris(2,3,4,5,6-pentafluorophenyl)-7,8-dihydrocorrin-23-id-3-ylidene]methanolate; pyridine Traditional Name: manganic; (E)-[(17Z)-17-(oxidomethylene)-5,10,15-tris(2,3,4,5,6-pentafluorophenyl)-7,8-dihydrocorrin-23-id-3-ylidene]methanolate; pyridine Formula: C44H15F15MnN5O2 MolecularWeight: 985.536297

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=NC1=C(C3=NC(=CC3=C[O-])C4=CC(=C[O-])C(=N4)C(=C5C=CC(=C2C6=C(C(=C(C(=C6F)F)F)F)F)[N-]5)C7=C(C(=C(C(=C7F)F)F)F)F)C8=C(C(=C(C(=C8F)F)F)F)F.C1=CC=NC=C1.[Mn+3]

Isomeric SMILES

C1CC2=NC1=C(C\3=NC(=C/C3=C\[O-])C4=C/C(=C/[O-])/C(=N4)C(=C5C=CC(=C2C6=C(C(=C(C(=C6F)F)F)F)F)[N-]5)C7=C(C(=C(C(=C7F)F)F)F)F)C8=C(C(=C(C(=C8F)F)F)F)F.C1=CC=NC=C1.[Mn+3]

InChI

InChI=1S/C39H12F15N4O2.C5H5N.Mn/c40-23-20(24(41)30(47)35(52)29(23)46)17-11-1-3-13(55-11)18(21-25(42)31(48)36(53)32(49)26(21)43)38-9(7-59)5-15(57-38)16-6-10(8-60)39(58-16)19(14-4-2-12(17)56-14)22-27(44)33(50)37(54)34(51)28(22)45;1-2-4-6-5-3-1;/h1,3,5-8H,2,4H2,(H2-,55,56,57,58,59,60);1-5H;/q-1;;+3/p-2