2,7-ditert-butyl-9H-fluoren-9-ide; tris(fluoranyl)methanesulfonate; zirconium(2+)

Systemtic Name: 2,7-ditert-butyl-9H-fluoren-9-ide; tris(fluoranyl)methanesulfonate; zirconium(2+) Openeye Name: 2,7-ditert-butyl-9H-fluoren-9-ide; trifluoromethanesulfonate; zirconium(2+) CAS Name: 2,7-ditert-butyl-9H-fluoren-9-ide; trifluoromethanesulfonate; zirconium(2+) IUPAC Name: 2,7-ditert-butyl-9H-fluoren-9-ide; trifluoromethanesulfonate; zirconium(2+) Traditional Name: 2,7-ditert-butyl-9H-fluoren-9-ide; zirconium(2+); ditriflate Formula: C44H50F6O6S2Zr2 MolecularWeight: 1035.432619

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C21H25.2CHF3O3S.2Zr/c2*1-20(2,3)16-7-9-18-14(12-16)11-15-13-17(21(4,5)6)8-10-19(15)18;2*2-1(3,4)8(5,6)7;;/h2*7-13H,1-6H3;2*(H,5,6,7);;/q2*-1;;;2*+2/p-2