[2-butyl-3-(1-tert-butyliminohexan-2-ylidene)cyclopropen-1-yl]-tris[2,3,4,5,6-pentakis(fluoranyl)phenyl]boranuide; cyclopenta-1,3-diene; 2-isocyano-2-methyl-propane; zirconium

Systemtic Name: [2-butyl-3-(1-tert-butyliminohexan-2-ylidene)cyclopropen-1-yl]-tris[2,3,4,5,6-pentakis(fluoranyl)phenyl]boranuide; cyclopenta-1,3-diene; 2-isocyano-2-methyl-propane; zirconium Openeye Name: [2-butyl-3-[1-(tert-butyliminomethyl)pentylidene]cyclopropen-1-yl]-tris(2,3,4,5,6-pentafluorophenyl)boranuide; cyclopenta-1,3-diene; 2-isocyano-2-methyl-propane; zirconium CAS Name: [2-butyl-3-(1-tert-butyliminohexan-2-ylidene)-1-cyclopropenyl]-tris(2,3,4,5,6-pentafluorophenyl)boranuide; cyclopenta-1,3-diene; 2-isocyano-2-methylpropane; zirconium IUPAC Name: [2-butyl-3-(1-tert-butyliminohexan-2-ylidene)cyclopropen-1-yl]-tris(2,3,4,5,6-pentafluorophenyl)boranuide; cyclopenta-1,3-diene; 2-isocyano-2-methylpropane; zirconium Traditional Name: [2-butyl-3-[1-(tert-butyliminomethyl)pentylidene]cyclopropen-1-yl]-tris(2,3,4,5,6-pentafluorophenyl)boranuide; cyclopenta-1,3-diene; 2-isocyano-2-methyl-propane; zirconium Formula: C50H46BF15N2Zr-4 MolecularWeight: 1061.924688

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Descriptors Computed from Structure

Canonical SMILES:

[B-](C1=C(C1=C(CCCC)[C-]=NC(C)(C)C)CCCC)(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)[N+]#[C-].[CH-]1C=CC=C1.[CH-]1C=CC=C1.[Zr]

Isomeric SMILES

[B-](C1=C(C1=C(CCCC)[C-]=NC(C)(C)C)CCCC)(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)[N+]#[C-].[CH-]1C=CC=C1.[CH-]1C=CC=C1.[Zr]

InChI

InChI=1S/C35H27BF15N.C5H9N.2C5H5.Zr/c1-6-8-10-13(12-52-35(3,4)5)15-14(11-9-7-2)16(15)36(17-20(37)26(43)32(49)27(44)21(17)38,18-22(39)28(45)33(50)29(46)23(18)40)19-24(41)30(47)34(51)31(48)25(19)42;1-5(2,3)6-4;2*1-2-4-5-3-1;/h6-11H2,1-5H3;1-3H3;2*1-5H;/q-2;;2*-1;