2-ethyl-3-oxidanylidene-2-(trifluoromethyl)butanoate; 2-methylbutan-2-ol; zirconium(2+)

Systemtic Name: 2-ethyl-3-oxidanylidene-2-(trifluoromethyl)butanoate; 2-methylbutan-2-ol; zirconium(2+) Openeye Name: 2-ethyl-3-oxo-2-(trifluoromethyl)butanoate; 2-methylbutan-2-ol; zirconium(2+) CAS Name: 2-ethyl-3-oxo-2-(trifluoromethyl)butanoate; 2-methyl-2-butanol; zirconium(2+) IUPAC Name: 2-ethyl-3-oxo-2-(trifluoromethyl)butanoate; 2-methylbutan-2-ol; zirconium(2+) Traditional Name: 2-ethyl-3-keto-2-(trifluoromethyl)butyrate; 2-methylbutan-2-ol; zirconium(2+) Formula: C24H40F6O8Zr MolecularWeight: 661.784019

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)O.CCC(C)(C)O.CCC(C(=O)C)(C(=O)[O-])C(F)(F)F.CCC(C(=O)C)(C(=O)[O-])C(F)(F)F.[Zr+2]

Isomeric SMILES

CCC(C)(C)O.CCC(C)(C)O.CCC(C(=O)C)(C(=O)[O-])C(F)(F)F.CCC(C(=O)C)(C(=O)[O-])C(F)(F)F.[Zr+2]

InChI

InChI=1S/2C7H9F3O3.2C5H12O.Zr/c2*1-3-6(4(2)11,5(12)13)7(8,9)10;2*1-4-5(2,3)6;/h2*3H2,1-2H3,(H,12,13);2*6H,4H2,1-3H3;/q;;;;+2/p-2