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

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

Systemtic Name:2-butylcyclopenta-1,3-diene; 2-(trifluoromethyl)phenol; zirconium(2+)
Openeye Name:2-butylcyclopenta-1,3-diene; 2-(trifluoromethyl)phenol; zirconium(2+)
CAS Name:2-butylcyclopenta-1,3-diene; 2-(trifluoromethyl)phenol; zirconium(2+)
IUPAC Name:2-butylcyclopenta-1,3-diene; 2-(trifluoromethyl)phenol; zirconium(2+)
Traditional Name:2-butylcyclopenta-1,3-diene; 2-(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=C(C(=C1)C(F)(F)F)O.C1=CC=C(C(=C1)C(F)(F)F)O.[Zr+2]


Isomeric SMILES

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


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