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

Systemtic Name: 1-(3,5-dimethylcyclopenta-1,4-dien-1-yl)-2-fluoranyl-benzene; diphenylsilylidenezirconium(2+); dichloride Openeye Name: 1-(3,5-dimethylcyclopenta-1,4-dien-1-yl)-2-fluoro-benzene; diphenylsilylidenezirconium(2+); dichloride CAS Name: 1-(3,5-dimethyl-1-cyclopenta-1,4-dienyl)-2-fluorobenzene; diphenylsilylidenezirconium(2+); dichloride IUPAC Name: 1-(3,5-dimethylcyclopenta-1,4-dien-1-yl)-2-fluorobenzene; diphenylsilylidenezirconium(2+); dichloride Traditional Name: 1-(3,5-dimethylcyclopenta-1,4-dien-1-yl)-2-fluoro-benzene; diphenylsilylidenezirconium(2+); dichloride Formula: C76H68Cl2F4Si2Zr2-2 MolecularWeight: 1366.871733

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=C(C(=[C-]1)C)C2=CC=CC=C2F.CC1C=C(C(=[C-]1)C)C2=CC=CC=C2F.CC1C=C(C(=[C-]1)C)C2=CC=CC=C2F.CC1C=C(C(=[C-]1)C)C2=CC=CC=C2F.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=C2F.CC1C=C(C(=[C-]1)C)C2=CC=CC=C2F.CC1C=C(C(=[C-]1)C)C2=CC=CC=C2F.CC1C=C(C(=[C-]1)C)C2=CC=CC=C2F.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/4C13H12F.2C12H10Si.2ClH.2Zr/c4*1-9-7-10(2)12(8-9)11-5-3-4-6-13(11)14;2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;;;;/h4*3-6,8-9H,1-2H3;2*1-10H;2*1H;;/q4*-1;;;;;2*+2/p-2