cyclopenta-1,3-diene; 1,3-dimethylinden-1-ide; 2-(trifluoromethyl)phenol; zirconium(2+)

Systemtic Name: cyclopenta-1,3-diene; 1,3-dimethylinden-1-ide; 2-(trifluoromethyl)phenol; zirconium(2+) Openeye Name: cyclopenta-1,3-diene; 1,3-dimethylinden-1-ide; 2-(trifluoromethyl)phenol; zirconium(2+) CAS Name: cyclopenta-1,3-diene; 1,3-dimethylinden-1-ide; 2-(trifluoromethyl)phenol; zirconium(2+) IUPAC Name: cyclopenta-1,3-diene; 1,3-dimethylinden-1-ide; 2-(trifluoromethyl)phenol; zirconium(2+) Traditional Name: cyclopenta-1,3-diene; 1,3-dimethylinden-1-ide; 2-(trifluoromethyl)phenol; zirconium(2+) Formula: C30H26F6O2Zr MolecularWeight: 623.740659

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Descriptors Computed from Structure

Canonical SMILES:

C[C-]1C=C(C2=CC=CC=C12)C.C1C=CC=[C-]1.C1=CC=C(C(=C1)C(F)(F)F)O.C1=CC=C(C(=C1)C(F)(F)F)O.[Zr+2]

Isomeric SMILES

C[C-]1C=C(C2=CC=CC=C12)C.C1C=CC=[C-]1.C1=CC=C(C(=C1)C(F)(F)F)O.C1=CC=C(C(=C1)C(F)(F)F)O.[Zr+2]

InChI

InChI=1S/C11H11.2C7H5F3O.C5H5.Zr/c1-8-7-9(2)11-6-4-3-5-10(8)11;2*8-7(9,10)5-3-1-2-4-6(5)11;1-2-4-5-3-1;/h3-7H,1-2H3;2*1-4,11H;1-3H,4H2;/q-1;;;-1;+2