1,3-dimethylcyclopenta-1,3-diene; 3-(trifluoromethyl)phenol; zirconium

Systemtic Name: 1,3-dimethylcyclopenta-1,3-diene; 3-(trifluoromethyl)phenol; zirconium Openeye Name: 1,3-dimethylcyclopenta-1,3-diene; 3-(trifluoromethyl)phenol; zirconium CAS Name: 1,3-dimethylcyclopenta-1,3-diene; 3-(trifluoromethyl)phenol; zirconium IUPAC Name: 1,3-dimethylcyclopenta-1,3-diene; 3-(trifluoromethyl)phenol; zirconium Traditional Name: 1,3-dimethylcyclopenta-1,3-diene; 3-(trifluoromethyl)phenol; zirconium Formula: C28H30F6O2Zr MolecularWeight: 603.751019

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C7H5F3O.2C7H10.Zr/c2*8-7(9,10)5-2-1-3-6(11)4-5;2*1-6-3-4-7(2)5-6;/h2*1-4,11H;2*3,5H,4H2,1-2H3;