cyclopenta-1,3-diene; 2,7-ditert-butyl-9H-fluoren-9-ide; propan-2-ylidenezirconium(2+); difluoride

Systemtic Name: cyclopenta-1,3-diene; 2,7-ditert-butyl-9H-fluoren-9-ide; propan-2-ylidenezirconium(2+); difluoride Openeye Name: cyclopenta-1,3-diene; 2,7-ditert-butyl-9H-fluoren-9-ide; isopropylidenezirconium(2+); difluoride CAS Name: cyclopenta-1,3-diene; 2,7-ditert-butyl-9H-fluoren-9-ide; propan-2-ylidenezirconium(2+); difluoride IUPAC Name: cyclopenta-1,3-diene; 2,7-ditert-butyl-9H-fluoren-9-ide; propan-2-ylidenezirconium(2+); difluoride Traditional Name: cyclopenta-1,3-diene; 2,7-ditert-butyl-9H-fluoren-9-ide; isopropylidenezirconium(2+); difluoride Formula: C58H72F2Zr2-2 MolecularWeight: 989.637086

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Descriptors Computed from Structure

Canonical SMILES:

CC(=[Zr+2])C.CC(=[Zr+2])C.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.C1C=CC=[C-]1.C1C=CC=[C-]1.[F-].[F-]

Isomeric SMILES

CC(=[Zr+2])C.CC(=[Zr+2])C.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.C1C=CC=[C-]1.C1C=CC=[C-]1.[F-].[F-]

InChI

InChI=1S/2C21H25.2C5H5.2C3H6.2FH.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*1-2-4-5-3-1;2*1-3-2;;;;/h2*7-13H,1-6H3;2*1-3H,4H2;2*1-2H3;2*1H;;/q4*-1;;;;;2*+2/p-2