2-tert-butyl-3,5-dimethyl-cyclopenta-1,3-diene; [methyl(phenyl)silylidene]zirconium(2+); dichloride

Systemtic Name: 2-tert-butyl-3,5-dimethyl-cyclopenta-1,3-diene; [methyl(phenyl)silylidene]zirconium(2+); dichloride Openeye Name: 2-tert-butyl-3,5-dimethyl-cyclopenta-1,3-diene; [methyl(phenyl)silylidene]zirconium(2+); dichloride CAS Name: 2-tert-butyl-3,5-dimethylcyclopenta-1,3-diene; [methyl(phenyl)silylidene]zirconium(2+); dichloride IUPAC Name: 2-tert-butyl-3,5-dimethylcyclopenta-1,3-diene; [methyl(phenyl)silylidene]zirconium(2+); dichloride Traditional Name: 2-tert-butyl-3,5-dimethyl-cyclopenta-1,3-diene; [methyl(phenyl)silylidene]zirconium(2+); dichloride Formula: C58H84Cl2Si2Zr2-2 MolecularWeight: 1090.81256

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=C(C(=[C-]1)C)C(C)(C)C.CC1C=C(C(=[C-]1)C)C(C)(C)C.CC1C=C(C(=[C-]1)C)C(C)(C)C.CC1C=C(C(=[C-]1)C)C(C)(C)C.C[Si](=[Zr+2])C1=CC=CC=C1.C[Si](=[Zr+2])C1=CC=CC=C1.[Cl-].[Cl-]

Isomeric SMILES

CC1C=C(C(=[C-]1)C)C(C)(C)C.CC1C=C(C(=[C-]1)C)C(C)(C)C.CC1C=C(C(=[C-]1)C)C(C)(C)C.CC1C=C(C(=[C-]1)C)C(C)(C)C.C[Si](=[Zr+2])C1=CC=CC=C1.C[Si](=[Zr+2])C1=CC=CC=C1.[Cl-].[Cl-]

InChI

InChI=1S/4C11H17.2C7H8Si.2ClH.2Zr/c4*1-8-6-9(2)10(7-8)11(3,4)5;2*1-8-7-5-3-2-4-6-7;;;;/h4*7-8H,1-5H3;2*2-6H,1H3;2*1H;;/q4*-1;;;;;2*+2/p-2