2,7-ditert-butyl-2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)-1H-fluoren-1-ide; propan-2-ylidenezirconium; dichloride

Systemtic Name: 2,7-ditert-butyl-2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)-1H-fluoren-1-ide; propan-2-ylidenezirconium; dichloride Openeye Name: 2,7-ditert-butyl-2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)-1H-fluoren-1-ide; isopropylidenezirconium; dichloride CAS Name: 2,7-ditert-butyl-2-(2,3-dimethyl-1-cyclopenta-1,3-dienyl)-1H-fluoren-1-ide; propan-2-ylidenezirconium; dichloride IUPAC Name: 2,7-ditert-butyl-2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)-1H-fluoren-1-ide; propan-2-ylidenezirconium; dichloride Traditional Name: 2,7-ditert-butyl-2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)-1H-fluoren-1-ide; isopropylidenezirconium; dichloride Formula: C62H78Cl2Zr2-4 MolecularWeight: 1076.63672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CCC(=C1C)C2(C=CC3=C4C=CC(=CC4=CC3=[C-]2)C(C)(C)C)C(C)(C)C.CC1=CCC(=C1C)C2(C=CC3=C4C=CC(=CC4=CC3=[C-]2)C(C)(C)C)C(C)(C)C.CC(=[Zr])C.CC(=[Zr])C.[Cl-].[Cl-]

Isomeric SMILES

CC1=CCC(=C1C)C2(C=CC3=C4C=CC(=CC4=CC3=[C-]2)C(C)(C)C)C(C)(C)C.CC1=CCC(=C1C)C2(C=CC3=C4C=CC(=CC4=CC3=[C-]2)C(C)(C)C)C(C)(C)C.CC(=[Zr])C.CC(=[Zr])C.[Cl-].[Cl-]

InChI

InChI=1S/2C28H33.2C3H6.2ClH.2Zr/c2*1-18-9-12-25(19(18)2)28(27(6,7)8)14-13-24-21(17-28)15-20-16-22(26(3,4)5)10-11-23(20)24;2*1-3-2;;;;/h2*9-11,13-16H,12H2,1-8H3;2*1-2H3;2*1H;;/q2*-1;;;;;;/p-2