2-[2-(1H-inden-1-id-2-yl)ethyl]-1H-inden-1-ide; tetrakis[2,3,4,5,6-pentakis(fluoranyl)phenyl]boranuide; zirconium(4+)

Systemtic Name: 2-[2-(1H-inden-1-id-2-yl)ethyl]-1H-inden-1-ide; tetrakis[2,3,4,5,6-pentakis(fluoranyl)phenyl]boranuide; zirconium(4+) Openeye Name: 2-[2-(1H-inden-1-id-2-yl)ethyl]-1H-inden-1-ide; tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide; zirconium(4+) CAS Name: 2-[2-(1H-inden-1-id-2-yl)ethyl]-1H-inden-1-ide; tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide; zirconium(4+) IUPAC Name: 2-[2-(1H-inden-1-id-2-yl)ethyl]-1H-inden-1-ide; tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide; zirconium(4+) Traditional Name: 2-[2-(1H-inden-1-id-2-yl)ethyl]-1H-inden-1-ide; tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide; zirconium(4+) Formula: C68H16B2F40Zr MolecularWeight: 1705.636768

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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.[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.[CH-]1C2=CC=CC=C2C=C1CCC3=CC4=CC=CC=C4[CH-]3.[Zr+4]

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.[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.[CH-]1C2=CC=CC=C2C=C1CCC3=CC4=CC=CC=C4[CH-]3.[Zr+4]

InChI

InChI=1S/2C24BF20.C20H16.Zr/c2*26-5-1(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;1-2-6-18-12-15(11-17(18)5-1)9-10-16-13-19-7-3-4-8-20(19)14-16;/h;;1-8,11-14H,9-10H2;/q2*-1;-2;+4