1-cyclopenta-1,4-dien-1-yl-3,5-bis(trifluoromethyl)benzene; zirconium(3+); dichloride

Systemtic Name: 1-cyclopenta-1,4-dien-1-yl-3,5-bis(trifluoromethyl)benzene; zirconium(3+); dichloride Openeye Name: 1-cyclopenta-1,4-dien-1-yl-3,5-bis(trifluoromethyl)benzene; zirconium(3+); dichloride CAS Name: 1-(1-cyclopenta-1,4-dienyl)-3,5-bis(trifluoromethyl)benzene; zirconium(3+); dichloride IUPAC Name: 1-cyclopenta-1,4-dien-1-yl-3,5-bis(trifluoromethyl)benzene; zirconium(3+); dichloride Traditional Name: 1-cyclopenta-1,4-dien-1-yl-3,5-bis(trifluoromethyl)benzene; zirconium(3+); dichloride Formula: C13H7Cl2F6Zr MolecularWeight: 439.315099

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC(=[C-]1)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F.[Cl-].[Cl-].[Zr+3]

Isomeric SMILES

C1C=CC(=[C-]1)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F.[Cl-].[Cl-].[Zr+3]

InChI

InChI=1S/C13H7F6.2ClH.Zr/c14-12(15,16)10-5-9(8-3-1-2-4-8)6-11(7-10)13(17,18)19;;;/h1,3,5-7H,2H2;2*1H;/q-1;;;+3/p-2