gadolinium(3+); 1,2,3,5,5-pentamethylcyclopenta-1,3-diene; tetrakis[2,3,4,5,6-pentakis(fluoranyl)phenyl]boranuide

Systemtic Name: gadolinium(3+); 1,2,3,5,5-pentamethylcyclopenta-1,3-diene; tetrakis[2,3,4,5,6-pentakis(fluoranyl)phenyl]boranuide Openeye Name: gadolinium(3+); 1,2,3,5,5-pentamethylcyclopenta-1,3-diene; tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide CAS Name: gadolinium(3+); 1,2,3,5,5-pentamethylcyclopenta-1,3-diene; tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide IUPAC Name: gadolinium(3+); 1,2,3,5,5-pentamethylcyclopenta-1,3-diene; tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide Traditional Name: gadolinium(3+); 1,2,3,5,5-pentamethylcyclopenta-1,3-diene; tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide Formula: C44H30BF20Gd MolecularWeight: 1106.738064

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Descriptors Computed from Structure

Canonical SMILES:

[B-](C1=C(C(=C(C(=C1F)F)F)F)F)(C2=C(C(=C(C(=C2F)F)F)F)F)(C3=C(C(=C(C(=C3F)F)F)F)F)C4=C(C(=C(C(=C4F)F)F)F)F.CC1=[C-]C(C(=C1C)C)(C)C.CC1=[C-]C(C(=C1C)C)(C)C.[Gd+3]

Isomeric SMILES

[B-](C1=C(C(=C(C(=C1F)F)F)F)F)(C2=C(C(=C(C(=C2F)F)F)F)F)(C3=C(C(=C(C(=C3F)F)F)F)F)C4=C(C(=C(C(=C4F)F)F)F)F.CC1=[C-]C(C(=C1C)C)(C)C.CC1=[C-]C(C(=C1C)C)(C)C.[Gd+3]

InChI

InChI=1S/C24BF20.2C10H15.Gd/c26-5-1(6(27)14(35)21(42)13(5)34)25(2-7(28)15(36)22(43)16(37)8(2)29,3-9(30)17(38)23(44)18(39)10(3)31)4-11(32)19(40)24(45)20(41)12(4)33;2*1-7-6-10(4,5)9(3)8(7)2;/h;2*1-5H3;/q3*-1;+3