cyclopenta-1,3-diene; 4-fluoranyl-2-(trifluoromethyl)phenol; zirconium(2+)

Systemtic Name: cyclopenta-1,3-diene; 4-fluoranyl-2-(trifluoromethyl)phenol; zirconium(2+) Openeye Name: cyclopenta-1,3-diene; 4-fluoro-2-(trifluoromethyl)phenol; zirconium(2+) CAS Name: cyclopenta-1,3-diene; 4-fluoro-2-(trifluoromethyl)phenol; zirconium(2+) IUPAC Name: cyclopenta-1,3-diene; 4-fluoro-2-(trifluoromethyl)phenol; zirconium(2+) Traditional Name: cyclopenta-1,3-diene; 4-fluoro-2-(trifluoromethyl)phenol; zirconium(2+) Formula: C24H18F8O2Zr MolecularWeight: 581.609746

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC=[C-]1.C1C=CC=[C-]1.C1=CC(=C(C=C1F)C(F)(F)F)O.C1=CC(=C(C=C1F)C(F)(F)F)O.[Zr+2]

Isomeric SMILES

C1C=CC=[C-]1.C1C=CC=[C-]1.C1=CC(=C(C=C1F)C(F)(F)F)O.C1=CC(=C(C=C1F)C(F)(F)F)O.[Zr+2]

InChI

InChI=1S/2C7H4F4O.2C5H5.Zr/c2*8-4-1-2-6(12)5(3-4)7(9,10)11;2*1-2-4-5-3-1;/h2*1-3,12H;2*1-3H,4H2;/q;;2*-1;+2