cyclopentane; 2-methylprop-2-enoic acid; tetrakis[2,3,4,5,6-pentakis(fluoranyl)phenyl]boranuide; zirconium(3+)

Systemtic Name: cyclopentane; 2-methylprop-2-enoic acid; tetrakis[2,3,4,5,6-pentakis(fluoranyl)phenyl]boranuide; zirconium(3+) Openeye Name: cyclopentane; 2-methylprop-2-enoic acid; tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide; zirconium(3+) CAS Name: cyclopentane; 2-methyl-2-propenoic acid; tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide; zirconium(3+) IUPAC Name: cyclopentane; 2-methylprop-2-enoic acid; tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide; zirconium(3+) Traditional Name: cyclopentane; methacrylic acid; tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide; zirconium(3+) Formula: C76H52B2F40O4Zr2+4 MolecularWeight: 1993.229808

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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.CC(=C)C(=O)O.CC(=C)C(=O)O.C1CCCC1.C1CCCC1.C1CCCC1.C1CCCC1.[Zr+3].[Zr+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.[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.CC(=C)C(=O)O.CC(=C)C(=O)O.C1CCCC1.C1CCCC1.C1CCCC1.C1CCCC1.[Zr+3].[Zr+3]

InChI

InChI=1S/2C24BF20.4C5H10.2C4H6O2.2Zr/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;4*1-2-4-5-3-1;2*1-3(2)4(5)6;;/h;;4*1-5H2;2*1H2,2H3,(H,5,6);;/q2*-1;;;;;;;2*+3