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

Systemtic Name: 2-chloranyl-4-(trifluoromethyl)phenol; cyclopenta-1,3-diene; zirconium(2+) Openeye Name: 2-chloro-4-(trifluoromethyl)phenol; cyclopenta-1,3-diene; zirconium(2+) CAS Name: 2-chloro-4-(trifluoromethyl)phenol; cyclopenta-1,3-diene; zirconium(2+) IUPAC Name: 2-chloro-4-(trifluoromethyl)phenol; cyclopenta-1,3-diene; zirconium(2+) Traditional Name: 2-chloro-4-(trifluoromethyl)phenol; cyclopenta-1,3-diene; zirconium(2+) Formula: C24H18Cl2F6O2Zr MolecularWeight: 614.518939

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C7H4ClF3O.2C5H5.Zr/c2*8-5-3-4(7(9,10)11)1-2-6(5)12;2*1-2-4-5-3-1;/h2*1-3,12H;2*1-3H,4H2;/q;;2*-1;+2