2,7-ditert-butyl-9H-fluoren-9-ide; 2-ethylcyclopenta-1,3-diene; zirconium(4+); dichloride

Systemtic Name: 2,7-ditert-butyl-9H-fluoren-9-ide; 2-ethylcyclopenta-1,3-diene; zirconium(4+); dichloride Openeye Name: 2,7-ditert-butyl-9H-fluoren-9-ide; 2-ethylcyclopenta-1,3-diene; zirconium(4+); dichloride CAS Name: 2,7-ditert-butyl-9H-fluoren-9-ide; 2-ethylcyclopenta-1,3-diene; zirconium(4+); dichloride IUPAC Name: 2,7-ditert-butyl-9H-fluoren-9-ide; 2-ethylcyclopenta-1,3-diene; zirconium(4+); dichloride Traditional Name: 2,7-ditert-butyl-9H-fluoren-9-ide; 2-ethylcyclopenta-1,3-diene; zirconium(4+); dichloride Formula: C28H34Cl2Zr MolecularWeight: 532.69956

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=[C-]CC=C1.CC(C)(C)C1=CC2=C(C=C1)C3=C([CH-]2)C=C(C=C3)C(C)(C)C.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CCC1=[C-]CC=C1.CC(C)(C)C1=CC2=C(C=C1)C3=C([CH-]2)C=C(C=C3)C(C)(C)C.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/C21H25.C7H9.2ClH.Zr/c1-20(2,3)16-7-9-18-14(12-16)11-15-13-17(21(4,5)6)8-10-19(15)18;1-2-7-5-3-4-6-7;;;/h7-13H,1-6H3;3,5H,2,4H2,1H3;2*1H;/q2*-1;;;+4/p-2