3,6-ditert-butyl-1-(3,5-dimethylcyclopenta-1,3-dien-1-yl)-9H-fluoren-9-ide; propan-2-ylidenezirconium; dichloride

Systemtic Name: 3,6-ditert-butyl-1-(3,5-dimethylcyclopenta-1,3-dien-1-yl)-9H-fluoren-9-ide; propan-2-ylidenezirconium; dichloride Openeye Name: 3,6-ditert-butyl-1-(3,5-dimethylcyclopenta-1,3-dien-1-yl)-9H-fluoren-9-ide; isopropylidenezirconium; dichloride CAS Name: 3,6-ditert-butyl-1-(3,5-dimethyl-1-cyclopenta-1,3-dienyl)-9H-fluoren-9-ide; propan-2-ylidenezirconium; dichloride IUPAC Name: 3,6-ditert-butyl-1-(3,5-dimethylcyclopenta-1,3-dien-1-yl)-9H-fluoren-9-ide; propan-2-ylidenezirconium; dichloride Traditional Name: 3,6-ditert-butyl-1-(3,5-dimethylcyclopenta-1,3-dien-1-yl)-9H-fluoren-9-ide; isopropylidenezirconium; dichloride Formula: C31H39Cl2Zr-3 MolecularWeight: 573.77136

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=C(C=C1C2=C3[CH-]C4=C(C3=CC(=C2)C(C)(C)C)C=C(C=C4)C(C)(C)C)C.CC(=[Zr])C.[Cl-].[Cl-]

Isomeric SMILES

CC1C=C(C=C1C2=C3[CH-]C4=C(C3=CC(=C2)C(C)(C)C)C=C(C=C4)C(C)(C)C)C.CC(=[Zr])C.[Cl-].[Cl-]

InChI

InChI=1S/C28H33.C3H6.2ClH.Zr/c1-17-11-18(2)22(12-17)25-15-21(28(6,7)8)16-26-23-14-20(27(3,4)5)10-9-19(23)13-24(25)26;1-3-2;;;/h9-16,18H,1-8H3;1-2H3;2*1H;/q-1;;;;/p-2