cyclohexylidenezirconium; 2,7-ditert-butyl-2-(2,3-diethylcyclopenta-1,3-dien-1-yl)-1H-fluoren-1-ide; dichloride

Systemtic Name: cyclohexylidenezirconium; 2,7-ditert-butyl-2-(2,3-diethylcyclopenta-1,3-dien-1-yl)-1H-fluoren-1-ide; dichloride Openeye Name: cyclohexylidenezirconium; 2,7-ditert-butyl-2-(2,3-diethylcyclopenta-1,3-dien-1-yl)-1H-fluoren-1-ide; dichloride CAS Name: cyclohexylidenezirconium; 2,7-ditert-butyl-2-(2,3-diethyl-1-cyclopenta-1,3-dienyl)-1H-fluoren-1-ide; dichloride IUPAC Name: cyclohexylidenezirconium; 2,7-ditert-butyl-2-(2,3-diethylcyclopenta-1,3-dien-1-yl)-1H-fluoren-1-ide; dichloride Traditional Name: cyclohexylidenezirconium; 2,7-ditert-butyl-2-(2,3-diethylcyclopenta-1,3-dien-1-yl)-1H-fluoren-1-ide; dichloride Formula: C72H94Cl2Zr2-4 MolecularWeight: 1212.87076

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CCC(=C1CC)C2(C=CC3=C4C=CC(=CC4=CC3=[C-]2)C(C)(C)C)C(C)(C)C.CCC1=CCC(=C1CC)C2(C=CC3=C4C=CC(=CC4=CC3=[C-]2)C(C)(C)C)C(C)(C)C.C1CCC(=[Zr])CC1.C1CCC(=[Zr])CC1.[Cl-].[Cl-]

Isomeric SMILES

CCC1=CCC(=C1CC)C2(C=CC3=C4C=CC(=CC4=CC3=[C-]2)C(C)(C)C)C(C)(C)C.CCC1=CCC(=C1CC)C2(C=CC3=C4C=CC(=CC4=CC3=[C-]2)C(C)(C)C)C(C)(C)C.C1CCC(=[Zr])CC1.C1CCC(=[Zr])CC1.[Cl-].[Cl-]

InChI

InChI=1S/2C30H37.2C6H10.2ClH.2Zr/c2*1-9-20-11-14-27(24(20)10-2)30(29(6,7)8)16-15-26-22(19-30)17-21-18-23(28(3,4)5)12-13-25(21)26;2*1-2-4-6-5-3-1;;;;/h2*11-13,15-18H,9-10,14H2,1-8H3;2*1-5H2;2*1H;;/q2*-1;;;;;;/p-2