cyclopenta-1,3-diene; 3,6-ditert-butyl-1,9-dihydrofluoren-1-ide; dicyclopentylsilylidenezirconium(2+); dichloride

Systemtic Name: cyclopenta-1,3-diene; 3,6-ditert-butyl-1,9-dihydrofluoren-1-ide; dicyclopentylsilylidenezirconium(2+); dichloride Openeye Name: cyclopenta-1,3-diene; 3,6-ditert-butyl-1,9-dihydrofluoren-1-ide; dicyclopentylsilylidenezirconium(2+); dichloride CAS Name: cyclopenta-1,3-diene; 3,6-ditert-butyl-1,9-dihydrofluoren-1-ide; dicyclopentylsilylidenezirconium(2+); dichloride IUPAC Name: cyclopenta-1,3-diene; 3,6-ditert-butyl-1,9-dihydrofluoren-1-ide; dicyclopentylsilylidenezirconium(2+); dichloride Traditional Name: cyclopenta-1,3-diene; 3,6-ditert-butyl-1,9-dihydrofluoren-1-ide; dicyclopentylsilylidenezirconium(2+); dichloride Formula: C72H96Cl2Si2Zr2-2 MolecularWeight: 1271.05764

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(CC3=C2C=C(C=[C-]3)C(C)(C)C)C=C1.CC(C)(C)C1=CC2=C(CC3=C2C=C(C=[C-]3)C(C)(C)C)C=C1.C1CCC(C1)[Si](=[Zr+2])C2CCCC2.C1CCC(C1)[Si](=[Zr+2])C2CCCC2.C1C=CC=[C-]1.C1C=CC=[C-]1.[Cl-].[Cl-]

Isomeric SMILES

CC(C)(C)C1=CC2=C(CC3=C2C=C(C=[C-]3)C(C)(C)C)C=C1.CC(C)(C)C1=CC2=C(CC3=C2C=C(C=[C-]3)C(C)(C)C)C=C1.C1CCC(C1)[Si](=[Zr+2])C2CCCC2.C1CCC(C1)[Si](=[Zr+2])C2CCCC2.C1C=CC=[C-]1.C1C=CC=[C-]1.[Cl-].[Cl-]

InChI

InChI=1S/2C21H25.2C10H18Si.2C5H5.2ClH.2Zr/c2*1-20(2,3)16-9-7-14-11-15-8-10-17(21(4,5)6)13-19(15)18(14)12-16;2*1-2-6-9(5-1)11-10-7-3-4-8-10;2*1-2-4-5-3-1;;;;/h2*7,9-10,12-13H,11H2,1-6H3;2*9-10H,1-8H2;2*1-3H,4H2;2*1H;;/q2*-1;;;2*-1;;;2*+2/p-2