(diphenylmethylidene)zirconium(2+); 9H-fluoren-9-ide; 2-propan-2-ylcyclopenta-1,3-diene; difluoride

Systemtic Name: (diphenylmethylidene)zirconium(2+); 9H-fluoren-9-ide; 2-propan-2-ylcyclopenta-1,3-diene; difluoride Openeye Name: benzhydrylidenezirconium(2+); 9H-fluoren-9-ide; 2-isopropylcyclopenta-1,3-diene; difluoride CAS Name: (diphenylmethylene)zirconium(2+); 9H-fluoren-9-ide; 2-propan-2-ylcyclopenta-1,3-diene; difluoride IUPAC Name: benzhydrylidenezirconium(2+); 9H-fluoren-9-ide; 2-propan-2-ylcyclopenta-1,3-diene; difluoride Traditional Name: benzhydrylidenezirconium(2+); 9H-fluoren-9-ide; 2-isopropylcyclopenta-1,3-diene; difluoride Formula: C68H60F2Zr2-2 MolecularWeight: 1097.648806

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC[C-]=C1.CC(C)C1=CC[C-]=C1.[CH-]1C2=CC=CC=C2C3=CC=CC=C31.[CH-]1C2=CC=CC=C2C3=CC=CC=C31.C1=CC=C(C=C1)C(=[Zr+2])C2=CC=CC=C2.C1=CC=C(C=C1)C(=[Zr+2])C2=CC=CC=C2.[F-].[F-]

Isomeric SMILES

CC(C)C1=CC[C-]=C1.CC(C)C1=CC[C-]=C1.[CH-]1C2=CC=CC=C2C3=CC=CC=C31.[CH-]1C2=CC=CC=C2C3=CC=CC=C31.C1=CC=C(C=C1)C(=[Zr+2])C2=CC=CC=C2.C1=CC=C(C=C1)C(=[Zr+2])C2=CC=CC=C2.[F-].[F-]

InChI

InChI=1S/2C13H9.2C13H10.2C8H11.2FH.2Zr/c2*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;2*1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;2*1-7(2)8-5-3-4-6-8;;;;/h2*1-9H;2*1-10H;2*5-7H,3H2,1-2H3;2*1H;;/q2*-1;;;2*-1;;;2*+2/p-2