gallium; 17-nitro-5,10,15-tris[2,3,4,5,6-pentakis(fluoranyl)phenyl]-7,8-dihydrocorrin-21,23,24-triide; pyridine

Systemtic Name: gallium; 17-nitro-5,10,15-tris[2,3,4,5,6-pentakis(fluoranyl)phenyl]-7,8-dihydrocorrin-21,23,24-triide; pyridine Openeye Name: gallium; 17-nitro-5,10,15-tris(2,3,4,5,6-pentafluorophenyl)-7,8-dihydrocorrin-21,23,24-triide; pyridine CAS Name: gallium; 17-nitro-5,10,15-tris(2,3,4,5,6-pentafluorophenyl)-7,8-dihydrocorrin-21,23,24-triide; pyridine IUPAC Name: gallium; 17-nitro-5,10,15-tris(2,3,4,5,6-pentafluorophenyl)-7,8-dihydrocorrin-21,23,24-triide; pyridine Traditional Name: gallium; 17-nitro-5,10,15-tris(2,3,4,5,6-pentafluorophenyl)-7,8-dihydrocorrin-21,23,24-triide; pyridine Formula: C47H19F15GaN7O2 MolecularWeight: 1068.398508

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=NC1=C(C3=CC=C([N-]3)C4=CC(=C([N-]4)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)[N+](=O)[O-])C8=C(C(=C(C(=C8F)F)F)F)F.C1=CC=NC=C1.C1=CC=NC=C1.[Ga+3]

Isomeric SMILES

C1CC2=NC1=C(C3=CC=C([N-]3)C4=CC(=C([N-]4)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)[N+](=O)[O-])C8=C(C(=C(C(=C8F)F)F)F)F.C1=CC=NC=C1.C1=CC=NC=C1.[Ga+3]

InChI

InChI=1S/C37H9F15N5O2.2C5H5N.Ga/c38-22-19(23(39)29(45)34(50)28(22)44)16-9-2-1-8(53-9)14-7-15(57(58)59)37(56-14)18(21-26(42)32(48)36(52)33(49)27(21)43)13-6-5-12(55-13)17(11-4-3-10(16)54-11)20-24(40)30(46)35(51)31(47)25(20)41;2*1-2-4-6-5-3-1;/h1-2,5-7H,3-4H2;2*1-5H;/q-3;;;+3