2-tert-butylcyclopenta-1,3-diene; dimethylsilylidenezirconium(2+); 1H-inden-1-ide; dichloride

Systemtic Name: 2-tert-butylcyclopenta-1,3-diene; dimethylsilylidenezirconium(2+); 1H-inden-1-ide; dichloride Openeye Name: 2-tert-butylcyclopenta-1,3-diene; dimethylsilylidenezirconium(2+); 1H-inden-1-ide; dichloride CAS Name: 2-tert-butylcyclopenta-1,3-diene; dimethylsilylidenezirconium(2+); 1H-inden-1-ide; dichloride IUPAC Name: 2-tert-butylcyclopenta-1,3-diene; dimethylsilylidenezirconium(2+); 1H-inden-1-ide; dichloride Traditional Name: 2-tert-butylcyclopenta-1,3-diene; dimethylsilylidenezirconium(2+); 1H-inden-1-ide; dichloride Formula: C40H52Cl2Si2Zr2-2 MolecularWeight: 842.36588

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC[C-]=C1.CC(C)(C)C1=CC[C-]=C1.C[Si](=[Zr+2])C.C[Si](=[Zr+2])C.[CH-]1C=CC2=CC=CC=C21.[CH-]1C=CC2=CC=CC=C21.[Cl-].[Cl-]

Isomeric SMILES

CC(C)(C)C1=CC[C-]=C1.CC(C)(C)C1=CC[C-]=C1.C[Si](=[Zr+2])C.C[Si](=[Zr+2])C.[CH-]1C=CC2=CC=CC=C21.[CH-]1C=CC2=CC=CC=C21.[Cl-].[Cl-]

InChI

InChI=1S/2C9H7.2C9H13.2C2H6Si.2ClH.2Zr/c2*1-2-5-9-7-3-6-8(9)4-1;2*1-9(2,3)8-6-4-5-7-8;2*1-3-2;;;;/h2*1-7H;2*6-7H,4H2,1-3H3;2*1-2H3;2*1H;;/q4*-1;;;;;2*+2/p-2