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

Systemtic Name: 2,7-ditert-butyl-9H-fluoren-9-ide; methanesulfonate; zirconium(2+) Openeye Name: 2,7-ditert-butyl-9H-fluoren-9-ide; methanesulfonate; zirconium(2+) CAS Name: 2,7-ditert-butyl-9H-fluoren-9-ide; methanesulfonate; zirconium(2+) IUPAC Name: 2,7-ditert-butyl-9H-fluoren-9-ide; methanesulfonate; zirconium(2+) Traditional Name: 2,7-ditert-butyl-9H-fluoren-9-ide; zirconium(2+); dimesylate Formula: C44H56O6S2Zr2 MolecularWeight: 927.48984

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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.CS(=O)(=O)[O-].CS(=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.CS(=O)(=O)[O-].CS(=O)(=O)[O-].[Zr+2].[Zr+2]

InChI

InChI=1S/2C21H25.2CH4O3S.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*1-5(2,3)4;;/h2*7-13H,1-6H3;2*1H3,(H,2,3,4);;/q2*-1;;;2*+2/p-2