1-tert-butyl-3-(3-tert-butylcyclopenta-1,3-dien-1-yl)inden-3-ide; propan-2-ylidenezirconium; dichloride

Systemtic Name: 1-tert-butyl-3-(3-tert-butylcyclopenta-1,3-dien-1-yl)inden-3-ide; propan-2-ylidenezirconium; dichloride Openeye Name: 1-tert-butyl-3-(3-tert-butylcyclopenta-1,3-dien-1-yl)inden-3-ide; isopropylidenezirconium; dichloride CAS Name: 1-tert-butyl-3-(3-tert-butyl-1-cyclopenta-1,3-dienyl)inden-3-ide; propan-2-ylidenezirconium; dichloride IUPAC Name: 1-tert-butyl-3-(3-tert-butylcyclopenta-1,3-dien-1-yl)inden-3-ide; propan-2-ylidenezirconium; dichloride Traditional Name: 1-tert-butyl-3-(3-tert-butylcyclopenta-1,3-dien-1-yl)inden-3-ide; isopropylidenezirconium; dichloride Formula: C25H33Cl2Zr-3 MolecularWeight: 495.65952

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Descriptors Computed from Structure

Canonical SMILES:

CC(=[Zr])C.CC(C)(C)C1=CCC(=C1)[C-]2C=C(C3=CC=CC=C23)C(C)(C)C.[Cl-].[Cl-]

Isomeric SMILES

CC(=[Zr])C.CC(C)(C)C1=CCC(=C1)[C-]2C=C(C3=CC=CC=C23)C(C)(C)C.[Cl-].[Cl-]

InChI

InChI=1S/C22H27.C3H6.2ClH.Zr/c1-21(2,3)16-12-11-15(13-16)19-14-20(22(4,5)6)18-10-8-7-9-17(18)19;1-3-2;;;/h7-10,12-14H,11H2,1-6H3;1-2H3;2*1H;/q-1;;;;/p-2