gallium; 2H-pyridin-1-ide; 5,10,15-tris[2,3,4,5,6-pentakis(fluoranyl)phenyl]corrin-21,22,24-triide-3-carboxylic acid

Systemtic Name: gallium; 2H-pyridin-1-ide; 5,10,15-tris[2,3,4,5,6-pentakis(fluoranyl)phenyl]corrin-21,22,24-triide-3-carboxylic acid Openeye Name: gallium; 2H-pyridin-1-ide; 5,10,15-tris(2,3,4,5,6-pentafluorophenyl)corrin-21,22,24-triide-3-carboxylic acid CAS Name: gallium; 2H-pyridin-1-ide; 5,10,15-tris(2,3,4,5,6-pentafluorophenyl)-3-corrin-21,22,24-triidecarboxylic acid IUPAC Name: gallium; 2H-pyridin-1-ide; 5,10,15-tris(2,3,4,5,6-pentafluorophenyl)corrin-21,22,24-triide-3-carboxylic acid Traditional Name: gallium; 2H-pyridin-1-ide; 5,10,15-tris(2,3,4,5,6-pentafluorophenyl)corrin-21,22,24-triide-3-carboxylic acid Formula: C43H14F15GaN5O2-4 MolecularWeight: 987.302608

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC=C[N-]1.C1=CC2=C(C3=C(C=C([N-]3)C4=CC=C([N-]4)C(=C5C=CC(=N5)C(=C1[N-]2)C6=C(C(=C(C(=C6F)F)F)F)F)C7=C(C(=C(C(=C7F)F)F)F)F)C(=O)O)C8=C(C(=C(C(=C8F)F)F)F)F.[Ga]

Isomeric SMILES

C1C=CC=C[N-]1.C1=CC2=C(C3=C(C=C([N-]3)C4=CC=C([N-]4)C(=C5C=CC(=N5)C(=C1[N-]2)C6=C(C(=C(C(=C6F)F)F)F)F)C7=C(C(=C(C(=C7F)F)F)F)F)C(=O)O)C8=C(C(=C(C(=C8F)F)F)F)F.[Ga]

InChI

InChI=1S/C38H9F15N4O2.C5H6N.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;/h1-7H,(H2-2,54,55,56,57,58,59);1-4H,5H2;/q-2;-1;/p-1