2,7-ditert-butyl-1,9-dihydrofluoren-1-ide; zirconium(2+); difluoride

Systemtic Name: 2,7-ditert-butyl-1,9-dihydrofluoren-1-ide; zirconium(2+); difluoride Openeye Name: 2,7-ditert-butyl-1,9-dihydrofluoren-1-ide; zirconium(2+); difluoride CAS Name: 2,7-ditert-butyl-1,9-dihydrofluoren-1-ide; zirconium(2+); difluoride IUPAC Name: 2,7-ditert-butyl-1,9-dihydrofluoren-1-ide; zirconium(2+); difluoride Traditional Name: 2,7-ditert-butyl-1,9-dihydrofluoren-1-ide; zirconium(2+); difluoride Formula: C84H100F2Zr2-2 MolecularWeight: 1330.137606

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C1)C3=CC=C([C-]=C3C2)C(C)(C)C.CC(C)(C)C1=CC2=C(C=C1)C3=CC=C([C-]=C3C2)C(C)(C)C.CC(C)(C)C1=CC2=C(C=C1)C3=CC=C([C-]=C3C2)C(C)(C)C.CC(C)(C)C1=CC2=C(C=C1)C3=CC=C([C-]=C3C2)C(C)(C)C.[F-].[F-].[Zr+2].[Zr+2]

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C1)C3=CC=C([C-]=C3C2)C(C)(C)C.CC(C)(C)C1=CC2=C(C=C1)C3=CC=C([C-]=C3C2)C(C)(C)C.CC(C)(C)C1=CC2=C(C=C1)C3=CC=C([C-]=C3C2)C(C)(C)C.CC(C)(C)C1=CC2=C(C=C1)C3=CC=C([C-]=C3C2)C(C)(C)C.[F-].[F-].[Zr+2].[Zr+2]

InChI

InChI=1S/4C21H25.2FH.2Zr/c4*1-20(2,3)16-7-9-18-14(12-16)11-15-13-17(21(4,5)6)8-10-19(15)18;;;;/h4*7-10,12H,11H2,1-6H3;2*1H;;/q4*-1;;;2*+2/p-2