3,5-bis(trifluoromethyl)phenol; cyclopenta-1,3-diene; zirconium(2+)

Systemtic Name: 3,5-bis(trifluoromethyl)phenol; cyclopenta-1,3-diene; zirconium(2+) Openeye Name: 3,5-bis(trifluoromethyl)phenol; cyclopenta-1,3-diene; zirconium(2+) CAS Name: 3,5-bis(trifluoromethyl)phenol; cyclopenta-1,3-diene; zirconium(2+) IUPAC Name: 3,5-bis(trifluoromethyl)phenol; cyclopenta-1,3-diene; zirconium(2+) Traditional Name: 3,5-bis(trifluoromethyl)phenol; cyclopenta-1,3-diene; zirconium(2+) Formula: C26H18F12O2Zr MolecularWeight: 681.624758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C8H4F6O.2C5H5.Zr/c2*9-7(10,11)4-1-5(8(12,13)14)3-6(15)2-4;2*1-2-4-5-3-1;/h2*1-3,15H;2*1-3H,4H2;/q;;2*-1;+2