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

Systemtic Name: 2-methylcyclopenta-1,3-diene; 3-(trifluoromethyl)phenol; zirconium(2+) Openeye Name: 2-methylcyclopenta-1,3-diene; 3-(trifluoromethyl)phenol; zirconium(2+) CAS Name: 2-methylcyclopenta-1,3-diene; 3-(trifluoromethyl)phenol; zirconium(2+) IUPAC Name: 2-methylcyclopenta-1,3-diene; 3-(trifluoromethyl)phenol; zirconium(2+) Traditional Name: 2-methylcyclopenta-1,3-diene; 3-(trifluoromethyl)phenol; zirconium(2+) Formula: C26H24F6O2Zr MolecularWeight: 573.681979

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[C-]CC=C1.CC1=[C-]CC=C1.C1=CC(=CC(=C1)O)C(F)(F)F.C1=CC(=CC(=C1)O)C(F)(F)F.[Zr+2]

Isomeric SMILES

CC1=[C-]CC=C1.CC1=[C-]CC=C1.C1=CC(=CC(=C1)O)C(F)(F)F.C1=CC(=CC(=C1)O)C(F)(F)F.[Zr+2]

InChI

InChI=1S/2C7H5F3O.2C6H7.Zr/c2*8-7(9,10)5-2-1-3-6(11)4-5;2*1-6-4-2-3-5-6;/h2*1-4,11H;2*2,4H,3H2,1H3;/q;;2*-1;+2