3-(trifluoromethyl)phenol; 1,2,4-trimethylcyclopenta-1,3-diene; zirconium

Systemtic Name: 3-(trifluoromethyl)phenol; 1,2,4-trimethylcyclopenta-1,3-diene; zirconium Openeye Name: 3-(trifluoromethyl)phenol; 1,2,4-trimethylcyclopenta-1,3-diene; zirconium CAS Name: 3-(trifluoromethyl)phenol; 1,2,4-trimethylcyclopenta-1,3-diene; zirconium IUPAC Name: 3-(trifluoromethyl)phenol; 1,2,4-trimethylcyclopenta-1,3-diene; zirconium Traditional Name: 3-(trifluoromethyl)phenol; 1,2,4-trimethylcyclopenta-1,3-diene; zirconium Formula: C30H34F6O2Zr MolecularWeight: 631.804179

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C8H12.2C7H5F3O.Zr/c2*1-6-4-7(2)8(3)5-6;2*8-7(9,10)5-2-1-3-6(11)4-5;/h2*4H,5H2,1-3H3;2*1-4,11H;