gallium; pyridine; [5,10,15-tris[2,3,4,5,6-pentakis(fluoranyl)phenyl]-13,23-dihydro-12H-corrin-24-id-3-ylidene]methanediolate

Systemtic Name: gallium; pyridine; [5,10,15-tris[2,3,4,5,6-pentakis(fluoranyl)phenyl]-13,23-dihydro-12H-corrin-24-id-3-ylidene]methanediolate Openeye Name: gallium; pyridine; [5,10,15-tris(2,3,4,5,6-pentafluorophenyl)-13,23-dihydro-12H-corrin-24-id-3-ylidene]methanediolate CAS Name: gallium; pyridine; [5,10,15-tris(2,3,4,5,6-pentafluorophenyl)-13,23-dihydro-12H-corrin-24-id-3-ylidene]methanediolate IUPAC Name: gallium; pyridine; [5,10,15-tris(2,3,4,5,6-pentafluorophenyl)-13,23-dihydro-12H-corrin-24-id-3-ylidene]methanediolate Traditional Name: gallium; pyridine; [5,10,15-tris(2,3,4,5,6-pentafluorophenyl)-13,23-dihydro-12H-corrin-24-id-3-ylidene]methanediolate Formula: C43H15F15GaN5O2 MolecularWeight: 988.310548

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C3=CC=C([N-]3)C4=CC(=C([O-])[O-])C(=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.C1=CC=NC=C1.[Ga+3]

Isomeric SMILES

C1CC2=C(C3=CC=C([N-]3)C4=CC(=C([O-])[O-])C(=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.C1=CC=NC=C1.[Ga+3]

InChI

InChI=1S/C38H12F15N4O2.C5H5N.Ga/c39-22-19(23(40)29(46)34(51)28(22)45)16-10-2-1-9(54-10)15-7-8(38(58)59)37(57-15)18(21-26(43)32(49)36(53)33(50)27(21)44)14-6-5-13(56-14)17(12-4-3-11(16)55-12)20-24(41)30(47)35(52)31(48)25(20)42;1-2-4-6-5-3-1;/h1-2,5-7H,3-4H2,(H3-,54,55,56,57,58,59);1-5H;/q-1;;+3/p-2