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gallium 5,10,15-tris[2,3,4,5,6-pentakis(fluoranyl)phenyl]-13,21,22,24-tetrahydro-12H-corrin-2,17-disulfonic acid
gallium 5,10,15-tris[2,3,4,5,6-pentakis(fluoranyl)phenyl]-13,21,22,24-tetrahydro-12H-corrin-2,17-disulfonic acid
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Descriptors Computed from Structure
Canonical SMILES:
C1CC2=NC1=C(C3=C(C=C(N3)C4=C(C=C(N4)C(=C5C=CC(=C2C6=C(C(=C(C(=C6F)F)F)F)F)N5)C7=C(C(=C(C(=C7F)F)F)F)F)S(=O)(=O)O)S(=O)(=O)O)C8=C(C(=C(C(=C8F)F)F)F)F.[Ga+3]
Isomeric SMILES
C1CC2=NC1=C(C3=C(C=C(N3)C4=C(C=C(N4)C(=C5C=CC(=C2C6=C(C(=C(C(=C6F)F)F)F)F)N5)C7=C(C(=C(C(=C7F)F)F)F)F)S(=O)(=O)O)S(=O)(=O)O)C8=C(C(=C(C(=C8F)F)F)F)F.[Ga+3]
InChI
InChI=1S/C37H13F15N4O6S2.Ga/c38-21-18(22(39)28(45)33(50)27(21)44)15-7-1-2-9(53-7)16(19-23(40)29(46)34(51)30(47)24(19)41)11-5-13(63(57,58)59)36(55-11)12-6-14(64(60,61)62)37(56-12)17(10-4-3-8(15)54-10)20-25(42)31(48)35(52)32(49)26(20)43;/h1-2,5-6,53,55-56H,3-4H2,(H,57,58,59)(H,60,61,62);/q;+3
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