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

Systemtic Name: 3,6-ditert-butyl-1-(3-tert-butylcyclopenta-1,3-dien-1-yl)-9H-fluoren-9-ide; propan-2-ylidenezirconium; dichloride Openeye Name: 3,6-ditert-butyl-1-(3-tert-butylcyclopenta-1,3-dien-1-yl)-9H-fluoren-9-ide; isopropylidenezirconium; dichloride CAS Name: 3,6-ditert-butyl-1-(3-tert-butyl-1-cyclopenta-1,3-dienyl)-9H-fluoren-9-ide; propan-2-ylidenezirconium; dichloride IUPAC Name: 3,6-ditert-butyl-1-(3-tert-butylcyclopenta-1,3-dien-1-yl)-9H-fluoren-9-ide; propan-2-ylidenezirconium; dichloride Traditional Name: 3,6-ditert-butyl-1-(3-tert-butylcyclopenta-1,3-dien-1-yl)-9H-fluoren-9-ide; isopropylidenezirconium; dichloride Formula: C33H43Cl2Zr-3 MolecularWeight: 601.82452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=[Zr])C.CC(C)(C)C1=CCC(=C1)C2=C3[CH-]C4=C(C3=CC(=C2)C(C)(C)C)C=C(C=C4)C(C)(C)C.[Cl-].[Cl-]

Isomeric SMILES

CC(=[Zr])C.CC(C)(C)C1=CCC(=C1)C2=C3[CH-]C4=C(C3=CC(=C2)C(C)(C)C)C=C(C=C4)C(C)(C)C.[Cl-].[Cl-]

InChI

InChI=1S/C30H37.C3H6.2ClH.Zr/c1-28(2,3)21-12-10-19(14-21)25-17-23(30(7,8)9)18-27-24-16-22(29(4,5)6)13-11-20(24)15-26(25)27;1-3-2;;;/h11-18H,10H2,1-9H3;1-2H3;2*1H;/q-1;;;;/p-2