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

Systemtic Name: gallium; 3,17-dinitro-5,10,15-tris[2,3,4,5,6-pentakis(fluoranyl)phenyl]-7,8-dihydrocorrin-21,23,24-triide; pyridine Openeye Name: gallium; 3,17-dinitro-5,10,15-tris(2,3,4,5,6-pentafluorophenyl)-7,8-dihydrocorrin-21,23,24-triide; pyridine CAS Name: gallium; 3,17-dinitro-5,10,15-tris(2,3,4,5,6-pentafluorophenyl)-7,8-dihydrocorrin-21,23,24-triide; pyridine IUPAC Name: gallium; 3,17-dinitro-5,10,15-tris(2,3,4,5,6-pentafluorophenyl)-7,8-dihydrocorrin-21,23,24-triide; pyridine Traditional Name: gallium; 3,17-dinitro-5,10,15-tris(2,3,4,5,6-pentafluorophenyl)-7,8-dihydrocorrin-21,23,24-triide; pyridine Formula: C47H18F15GaN8O4 MolecularWeight: 1113.396068

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=NC1=C(C3=C(C=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-])[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=C(C=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-])[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/C37H8F15N6O4.2C5H5N.Ga/c38-21-18(22(39)28(45)33(50)27(21)44)15-7-1-3-9(53-7)16(19-23(40)29(46)34(51)30(47)24(19)41)36-13(57(59)60)5-11(55-36)12-6-14(58(61)62)37(56-12)17(10-4-2-8(15)54-10)20-25(42)31(48)35(52)32(49)26(20)43;2*1-2-4-6-5-3-1;/h1,3,5-6H,2,4H2;2*1-5H;/q-3;;;+3