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

Systemtic Name: 2-butylcyclopenta-1,3-diene; 3-(trifluoromethyl)phenol; zirconium(2+) Openeye Name: 2-butylcyclopenta-1,3-diene; 3-(trifluoromethyl)phenol; zirconium(2+) CAS Name: 2-butylcyclopenta-1,3-diene; 3-(trifluoromethyl)phenol; zirconium(2+) IUPAC Name: 2-butylcyclopenta-1,3-diene; 3-(trifluoromethyl)phenol; zirconium(2+) Traditional Name: 2-butylcyclopenta-1,3-diene; 3-(trifluoromethyl)phenol; zirconium(2+) Formula: C32H36F6O2Zr MolecularWeight: 657.841459

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=[C-]CC=C1.CCCCC1=[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

CCCCC1=[C-]CC=C1.CCCCC1=[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/2C9H13.2C7H5F3O.Zr/c2*1-2-3-6-9-7-4-5-8-9;2*8-7(9,10)5-2-1-3-6(11)4-5;/h2*4,7H,2-3,5-6H2,1H3;2*1-4,11H;/q2*-1;;;+2