(3,5-dimethylcyclopenta-1,4-dien-1-yl)benzene; diphenylsilylidenezirconium(2+); dichloride

Systemtic Name: (3,5-dimethylcyclopenta-1,4-dien-1-yl)benzene; diphenylsilylidenezirconium(2+); dichloride Openeye Name: (3,5-dimethylcyclopenta-1,4-dien-1-yl)benzene; diphenylsilylidenezirconium(2+); dichloride CAS Name: (3,5-dimethyl-1-cyclopenta-1,4-dienyl)benzene; diphenylsilylidenezirconium(2+); dichloride IUPAC Name: (3,5-dimethylcyclopenta-1,4-dien-1-yl)benzene; diphenylsilylidenezirconium(2+); dichloride Traditional Name: (3,5-dimethylcyclopenta-1,4-dien-1-yl)benzene; diphenylsilylidenezirconium(2+); dichloride Formula: C76H72Cl2Si2Zr2-2 MolecularWeight: 1294.90988

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=C(C(=[C-]1)C)C2=CC=CC=C2.CC1C=C(C(=[C-]1)C)C2=CC=CC=C2.CC1C=C(C(=[C-]1)C)C2=CC=CC=C2.CC1C=C(C(=[C-]1)C)C2=CC=CC=C2.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)C2=CC=CC=C2.CC1C=C(C(=[C-]1)C)C2=CC=CC=C2.CC1C=C(C(=[C-]1)C)C2=CC=CC=C2.CC1C=C(C(=[C-]1)C)C2=CC=CC=C2.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/4C13H13.2C12H10Si.2ClH.2Zr/c4*1-10-8-11(2)13(9-10)12-6-4-3-5-7-12;2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;;;;/h4*3-7,9-10H,1-2H3;2*1-10H;2*1H;;/q4*-1;;;;;2*+2/p-2