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

Systemtic Name: (3,4-dimethylcyclopenta-2,4-dien-1-yl)benzene; 1-(3,4-dimethylcyclopenta-2,4-dien-1-yl)-3,5-bis(trifluoromethyl)benzene; zirconium(4+); dichloride Openeye Name: (3,4-dimethylcyclopenta-2,4-dien-1-yl)benzene; 1-(3,4-dimethylcyclopenta-2,4-dien-1-yl)-3,5-bis(trifluoromethyl)benzene; zirconium(4+); dichloride CAS Name: (3,4-dimethyl-1-cyclopenta-2,4-dienyl)benzene; 1-(3,4-dimethyl-1-cyclopenta-2,4-dienyl)-3,5-bis(trifluoromethyl)benzene; zirconium(4+); dichloride IUPAC Name: (3,4-dimethylcyclopenta-2,4-dien-1-yl)benzene; 1-(3,4-dimethylcyclopenta-2,4-dien-1-yl)-3,5-bis(trifluoromethyl)benzene; zirconium(4+); dichloride Traditional Name: (3,4-dimethylcyclopenta-2,4-dien-1-yl)benzene; 1-(3,4-dimethylcyclopenta-2,4-dien-1-yl)-3,5-bis(trifluoromethyl)benzene; zirconium(4+); dichloride Formula: C28H24Cl2F6Zr MolecularWeight: 636.610579

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[C-](C=C1C)C2=CC=CC=C2.CC1=C[C-](C=C1C)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CC1=C[C-](C=C1C)C2=CC=CC=C2.CC1=C[C-](C=C1C)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/C15H11F6.C13H13.2ClH.Zr/c1-8-3-10(4-9(8)2)11-5-12(14(16,17)18)7-13(6-11)15(19,20)21;1-10-8-13(9-11(10)2)12-6-4-3-5-7-12;;;/h3-7H,1-2H3;3-9H,1-2H3;2*1H;/q2*-1;;;+4/p-2