3-tert-butyl-2-cyclopenta-1,3-dien-1-yl-1H-inden-1-ide; propan-2-ylidenezirconium; dichloride

Systemtic Name: 3-tert-butyl-2-cyclopenta-1,3-dien-1-yl-1H-inden-1-ide; propan-2-ylidenezirconium; dichloride Openeye Name: 3-tert-butyl-2-cyclopenta-1,3-dien-1-yl-1H-inden-1-ide; isopropylidenezirconium; dichloride CAS Name: 3-tert-butyl-2-(1-cyclopenta-1,3-dienyl)-1H-inden-1-ide; propan-2-ylidenezirconium; dichloride IUPAC Name: 3-tert-butyl-2-cyclopenta-1,3-dien-1-yl-1H-inden-1-ide; propan-2-ylidenezirconium; dichloride Traditional Name: 3-tert-butyl-2-cyclopenta-1,3-dien-1-yl-1H-inden-1-ide; isopropylidenezirconium; dichloride Formula: C21H25Cl2Zr-3 MolecularWeight: 439.5532

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Descriptors Computed from Structure

Canonical SMILES:

CC(=[Zr])C.CC(C)(C)C1=C([CH-]C2=CC=CC=C21)C3=CC=CC3.[Cl-].[Cl-]

Isomeric SMILES

CC(=[Zr])C.CC(C)(C)C1=C([CH-]C2=CC=CC=C21)C3=CC=CC3.[Cl-].[Cl-]

InChI

InChI=1S/C18H19.C3H6.2ClH.Zr/c1-18(2,3)17-15-11-7-6-10-14(15)12-16(17)13-8-4-5-9-13;1-3-2;;;/h4-8,10-12H,9H2,1-3H3;1-2H3;2*1H;/q-1;;;;/p-2