1-cyclopenta-1,4-dien-1-yl-3-fluoranyl-benzene; dimethylsilylidenezirconium(2+); dichloride

Systemtic Name: 1-cyclopenta-1,4-dien-1-yl-3-fluoranyl-benzene; dimethylsilylidenezirconium(2+); dichloride Openeye Name: 1-cyclopenta-1,4-dien-1-yl-3-fluoro-benzene; dimethylsilylidenezirconium(2+); dichloride CAS Name: 1-(1-cyclopenta-1,4-dienyl)-3-fluorobenzene; dimethylsilylidenezirconium(2+); dichloride IUPAC Name: 1-cyclopenta-1,4-dien-1-yl-3-fluorobenzene; dimethylsilylidenezirconium(2+); dichloride Traditional Name: 1-cyclopenta-1,4-dien-1-yl-3-fluoro-benzene; dimethylsilylidenezirconium(2+); dichloride Formula: C48H44Cl2F4Si2Zr2-2 MolecularWeight: 1006.381573

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Descriptors Computed from Structure

Canonical SMILES:

C[Si](=[Zr+2])C.C[Si](=[Zr+2])C.C1C=CC(=[C-]1)C2=CC(=CC=C2)F.C1C=CC(=[C-]1)C2=CC(=CC=C2)F.C1C=CC(=[C-]1)C2=CC(=CC=C2)F.C1C=CC(=[C-]1)C2=CC(=CC=C2)F.[Cl-].[Cl-]

Isomeric SMILES

C[Si](=[Zr+2])C.C[Si](=[Zr+2])C.C1C=CC(=[C-]1)C2=CC(=CC=C2)F.C1C=CC(=[C-]1)C2=CC(=CC=C2)F.C1C=CC(=[C-]1)C2=CC(=CC=C2)F.C1C=CC(=[C-]1)C2=CC(=CC=C2)F.[Cl-].[Cl-]

InChI

InChI=1S/4C11H8F.2C2H6Si.2ClH.2Zr/c4*12-11-7-3-6-10(8-11)9-4-1-2-5-9;2*1-3-2;;;;/h4*1,3-4,6-8H,2H2;2*1-2H3;2*1H;;/q4*-1;;;;;2*+2/p-2