2-tert-butyl-3,5-dimethyl-cyclopenta-1,3-diene; diphenylsilylidenezirconium(2+); dichloride

Systemtic Name: 2-tert-butyl-3,5-dimethyl-cyclopenta-1,3-diene; diphenylsilylidenezirconium(2+); dichloride Openeye Name: 2-tert-butyl-3,5-dimethyl-cyclopenta-1,3-diene; diphenylsilylidenezirconium(2+); dichloride CAS Name: 2-tert-butyl-3,5-dimethylcyclopenta-1,3-diene; diphenylsilylidenezirconium(2+); dichloride IUPAC Name: 2-tert-butyl-3,5-dimethylcyclopenta-1,3-diene; diphenylsilylidenezirconium(2+); dichloride Traditional Name: 2-tert-butyl-3,5-dimethyl-cyclopenta-1,3-diene; diphenylsilylidenezirconium(2+); dichloride Formula: C68H88Cl2Si2Zr2-2 MolecularWeight: 1214.95132

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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.C1=CC=C(C=C1)[Si](=[Zr+2])C2=CC=CC=C2.C1=CC=C(C=C1)[Si](=[Zr+2])C2=CC=CC=C2.[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.C1=CC=C(C=C1)[Si](=[Zr+2])C2=CC=CC=C2.C1=CC=C(C=C1)[Si](=[Zr+2])C2=CC=CC=C2.[Cl-].[Cl-]

InChI

InChI=1S/2C12H10Si.4C11H17.2ClH.2Zr/c2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;4*1-8-6-9(2)10(7-8)11(3,4)5;;;;/h2*1-10H;4*7-8H,1-5H3;2*1H;;/q;;4*-1;;;2*+2/p-2