1,3-dimethylcyclopenta-1,3-diene; methylidenezirconium; 2-(trifluoromethyl)phenol

Systemtic Name: 1,3-dimethylcyclopenta-1,3-diene; methylidenezirconium; 2-(trifluoromethyl)phenol Openeye Name: 1,3-dimethylcyclopenta-1,3-diene; methylenezirconium; 2-(trifluoromethyl)phenol CAS Name: 1,3-dimethylcyclopenta-1,3-diene; methylenezirconium; 2-(trifluoromethyl)phenol IUPAC Name: 1,3-dimethylcyclopenta-1,3-diene; methylidenezirconium; 2-(trifluoromethyl)phenol Traditional Name: 1,3-dimethylcyclopenta-1,3-diene; methylenezirconium; 2-(trifluoromethyl)phenol Formula: C29H32F6O2Zr MolecularWeight: 617.777599

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC1)C.CC1=CC(=CC1)C.C=[Zr].C1=CC=C(C(=C1)C(F)(F)F)O.C1=CC=C(C(=C1)C(F)(F)F)O

Isomeric SMILES

CC1=CC(=CC1)C.CC1=CC(=CC1)C.C=[Zr].C1=CC=C(C(=C1)C(F)(F)F)O.C1=CC=C(C(=C1)C(F)(F)F)O

InChI

InChI=1S/2C7H5F3O.2C7H10.CH2.Zr/c2*8-7(9,10)5-3-1-2-4-6(5)11;2*1-6-3-4-7(2)5-6;;/h2*1-4,11H;2*3,5H,4H2,1-2H3;1H2;