2,7-ditert-butyl-9H-fluoren-9-ide; 3-(trifluoromethyl)phenol; zirconium(2+)

Systemtic Name: 2,7-ditert-butyl-9H-fluoren-9-ide; 3-(trifluoromethyl)phenol; zirconium(2+) Openeye Name: 2,7-ditert-butyl-9H-fluoren-9-ide; 3-(trifluoromethyl)phenol; zirconium(2+) CAS Name: 2,7-ditert-butyl-9H-fluoren-9-ide; 3-(trifluoromethyl)phenol; zirconium(2+) IUPAC Name: 2,7-ditert-butyl-9H-fluoren-9-ide; 3-(trifluoromethyl)phenol; zirconium(2+) Traditional Name: 2,7-ditert-butyl-9H-fluoren-9-ide; 3-(trifluoromethyl)phenol; zirconium(2+) Formula: C56H60F6O2Zr MolecularWeight: 970.288819

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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.C1=CC(=CC(=C1)O)C(F)(F)F.C1=CC(=CC(=C1)O)C(F)(F)F.[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.C1=CC(=CC(=C1)O)C(F)(F)F.C1=CC(=CC(=C1)O)C(F)(F)F.[Zr+2]

InChI

InChI=1S/2C21H25.2C7H5F3O.Zr/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*8-7(9,10)5-2-1-3-6(11)4-5;/h2*7-13H,1-6H3;2*1-4,11H;/q2*-1;;;+2