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

Systemtic Name: 1-cyclopenta-1,4-dien-1-yl-3-fluoranyl-benzene; diphenylsilylidenezirconium(2+); dichloride Openeye Name: 1-cyclopenta-1,4-dien-1-yl-3-fluoro-benzene; diphenylsilylidenezirconium(2+); dichloride CAS Name: 1-(1-cyclopenta-1,4-dienyl)-3-fluorobenzene; diphenylsilylidenezirconium(2+); dichloride IUPAC Name: 1-cyclopenta-1,4-dien-1-yl-3-fluorobenzene; diphenylsilylidenezirconium(2+); dichloride Traditional Name: 1-cyclopenta-1,4-dien-1-yl-3-fluoro-benzene; diphenylsilylidenezirconium(2+); dichloride Formula: C68H52Cl2F4Si2Zr2-2 MolecularWeight: 1254.659093

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Descriptors Computed from Structure

Canonical SMILES:

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.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

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.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.4C11H8F.2ClH.2Zr/c2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;4*12-11-7-3-6-10(8-11)9-4-1-2-5-9;;;;/h2*1-10H;4*1,3-4,6-8H,2H2;2*1H;;/q;;4*-1;;;2*+2/p-2