2-tert-butylcyclopenta-1,3-diene; 3,3-dimethylbutan-2-ylidenezirconium; 4-(trifluoromethyl)phenol

Systemtic Name: 2-tert-butylcyclopenta-1,3-diene; 3,3-dimethylbutan-2-ylidenezirconium; 4-(trifluoromethyl)phenol Openeye Name: 2-tert-butylcyclopenta-1,3-diene; 4-(trifluoromethyl)phenol; 1,2,2-trimethylpropylidenezirconium CAS Name: 2-tert-butylcyclopenta-1,3-diene; 3,3-dimethylbutan-2-ylidenezirconium; 4-(trifluoromethyl)phenol IUPAC Name: 2-tert-butylcyclopenta-1,3-diene; 3,3-dimethylbutan-2-ylidenezirconium; 4-(trifluoromethyl)phenol Traditional Name: 2-tert-butylcyclopenta-1,3-diene; 4-(trifluoromethyl)phenol; 1,2,2-trimethylpropylidenezirconium Formula: C38H48F6O2Zr-2 MolecularWeight: 742.000939

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Descriptors Computed from Structure

Canonical SMILES:

CC(=[Zr])C(C)(C)C.CC(C)(C)C1=[C-]CC=C1.CC(C)(C)C1=[C-]CC=C1.C1=CC(=CC=C1C(F)(F)F)O.C1=CC(=CC=C1C(F)(F)F)O

Isomeric SMILES

CC(=[Zr])C(C)(C)C.CC(C)(C)C1=[C-]CC=C1.CC(C)(C)C1=[C-]CC=C1.C1=CC(=CC=C1C(F)(F)F)O.C1=CC(=CC=C1C(F)(F)F)O

InChI

InChI=1S/2C9H13.2C7H5F3O.C6H12.Zr/c2*1-9(2,3)8-6-4-5-7-8;2*8-7(9,10)5-1-3-6(11)4-2-5;1-5-6(2,3)4;/h2*4,6H,5H2,1-3H3;2*1-4,11H;1-4H3;/q2*-1;;;;