1,3-diethylcyclopenta-1,3-diene; 2-(trifluoromethyl)phenol; zirconium

Systemtic Name: 1,3-diethylcyclopenta-1,3-diene; 2-(trifluoromethyl)phenol; zirconium Openeye Name: 1,3-diethylcyclopenta-1,3-diene; 2-(trifluoromethyl)phenol; zirconium CAS Name: 1,3-diethylcyclopenta-1,3-diene; 2-(trifluoromethyl)phenol; zirconium IUPAC Name: 1,3-diethylcyclopenta-1,3-diene; 2-(trifluoromethyl)phenol; zirconium Traditional Name: 1,3-diethylcyclopenta-1,3-diene; 2-(trifluoromethyl)phenol; zirconium Formula: C32H38F6O2Zr MolecularWeight: 659.857339

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC1)CC.CCC1=CC(=CC1)CC.C1=CC=C(C(=C1)C(F)(F)F)O.C1=CC=C(C(=C1)C(F)(F)F)O.[Zr]

Isomeric SMILES

CCC1=CC(=CC1)CC.CCC1=CC(=CC1)CC.C1=CC=C(C(=C1)C(F)(F)F)O.C1=CC=C(C(=C1)C(F)(F)F)O.[Zr]

InChI

InChI=1S/2C9H14.2C7H5F3O.Zr/c2*1-3-8-5-6-9(4-2)7-8;2*8-7(9,10)5-3-1-2-4-6(5)11;/h2*5,7H,3-4,6H2,1-2H3;2*1-4,11H;