2-(trifluoromethyl)butanoate; zirconium(4+)

Systemtic Name: 2-(trifluoromethyl)butanoate; zirconium(4+) Openeye Name: 2-(trifluoromethyl)butanoate; zirconium(4+) CAS Name: 2-(trifluoromethyl)butanoate; zirconium(4+) IUPAC Name: 2-(trifluoromethyl)butanoate; zirconium(4+) Traditional Name: 2-(trifluoromethyl)butyrate; zirconium(4+) Formula: C20H24F12O8Zr MolecularWeight: 711.604598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[O-])C(F)(F)F.CCC(C(=O)[O-])C(F)(F)F.CCC(C(=O)[O-])C(F)(F)F.CCC(C(=O)[O-])C(F)(F)F.[Zr+4]

Isomeric SMILES

CCC(C(=O)[O-])C(F)(F)F.CCC(C(=O)[O-])C(F)(F)F.CCC(C(=O)[O-])C(F)(F)F.CCC(C(=O)[O-])C(F)(F)F.[Zr+4]

InChI

InChI=1S/4C5H7F3O2.Zr/c4*1-2-3(4(9)10)5(6,7)8;/h4*3H,2H2,1H3,(H,9,10);/q;;;;+4/p-4