1,3-ditert-butylcyclopenta-1,3-diene; dimethylsilylidenezirconium(2+); dichloride

Systemtic Name: 1,3-ditert-butylcyclopenta-1,3-diene; dimethylsilylidenezirconium(2+); dichloride Openeye Name: 1,3-ditert-butylcyclopenta-1,3-diene; dimethylsilylidenezirconium(2+); dichloride CAS Name: 1,3-ditert-butylcyclopenta-1,3-diene; dimethylsilylidenezirconium(2+); dichloride IUPAC Name: 1,3-ditert-butylcyclopenta-1,3-diene; dimethylsilylidenezirconium(2+); dichloride Traditional Name: 1,3-ditert-butylcyclopenta-1,3-diene; dimethylsilylidenezirconium(2+); dichloride Formula: C56H96Cl2Si2Zr2-2 MolecularWeight: 1078.88644

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=[C-]C1)C(C)(C)C.CC(C)(C)C1=CC(=[C-]C1)C(C)(C)C.CC(C)(C)C1=CC(=[C-]C1)C(C)(C)C.CC(C)(C)C1=CC(=[C-]C1)C(C)(C)C.C[Si](=[Zr+2])C.C[Si](=[Zr+2])C.[Cl-].[Cl-]

Isomeric SMILES

CC(C)(C)C1=CC(=[C-]C1)C(C)(C)C.CC(C)(C)C1=CC(=[C-]C1)C(C)(C)C.CC(C)(C)C1=CC(=[C-]C1)C(C)(C)C.CC(C)(C)C1=CC(=[C-]C1)C(C)(C)C.C[Si](=[Zr+2])C.C[Si](=[Zr+2])C.[Cl-].[Cl-]

InChI

InChI=1S/4C13H21.2C2H6Si.2ClH.2Zr/c4*1-12(2,3)10-7-8-11(9-10)13(4,5)6;2*1-3-2;;;;/h4*9H,7H2,1-6H3;2*1-2H3;2*1H;;/q4*-1;;;;;2*+2/p-2