gallium; (E)-methoxy-[5,10,15-tris[2,3,4,5,6-pentakis(fluoranyl)phenyl]-12,13-dihydrocorrin-22,24-diid-3-ylidene]methanolate; pyridine

Systemtic Name: gallium; (E)-methoxy-[5,10,15-tris[2,3,4,5,6-pentakis(fluoranyl)phenyl]-12,13-dihydrocorrin-22,24-diid-3-ylidene]methanolate; pyridine Openeye Name: gallium; (E)-methoxy-[5,10,15-tris(2,3,4,5,6-pentafluorophenyl)-12,13-dihydrocorrin-22,24-diid-3-ylidene]methanolate; pyridine CAS Name: gallium; (E)-methoxy-[5,10,15-tris(2,3,4,5,6-pentafluorophenyl)-12,13-dihydrocorrin-22,24-diid-3-ylidene]methanolate; pyridine IUPAC Name: gallium; (E)-methoxy-[5,10,15-tris(2,3,4,5,6-pentafluorophenyl)-12,13-dihydrocorrin-22,24-diid-3-ylidene]methanolate; pyridine Traditional Name: gallium; (E)-methoxy-[5,10,15-tris(2,3,4,5,6-pentafluorophenyl)-12,13-dihydrocorrin-22,24-diid-3-ylidene]methanolate; pyridine Formula: C44H17F15GaN5O2 MolecularWeight: 1002.337128

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Descriptors Computed from Structure

Canonical SMILES:

COC(=C1C=C2C3=CC=C([N-]3)C(=C4CCC(=N4)C(=C5C=CC(=C(C1=N2)C6=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)[O-].C1=CC=NC=C1.[Ga+3]

Isomeric SMILES

CO/C(=C/1\C=C2C3=CC=C([N-]3)C(=C4CCC(=N4)C(=C5C=CC(=C(C1=N2)C6=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)/[O-].C1=CC=NC=C1.[Ga+3]

InChI

InChI=1S/C39H13F15N4O2.C5H5N.Ga/c1-60-39(59)9-8-16-10-2-3-11(55-10)17(20-23(40)29(46)35(52)30(47)24(20)41)12-4-5-13(56-12)18(21-25(42)31(48)36(53)32(49)26(21)43)14-6-7-15(57-14)19(38(9)58-16)22-27(44)33(50)37(54)34(51)28(22)45;1-2-4-6-5-3-1;/h2-3,6-8H,4-5H2,1H3,(H-2,55,56,57,58,59);1-5H;/q-2;;+3/p-1