2-ethyl-3-oxidanylidene-2-(trifluoromethyl)butanoate; propan-1-ol; zirconium(2+)

Systemtic Name: 2-ethyl-3-oxidanylidene-2-(trifluoromethyl)butanoate; propan-1-ol; zirconium(2+) Openeye Name: 2-ethyl-3-oxo-2-(trifluoromethyl)butanoate; propan-1-ol; zirconium(2+) CAS Name: 2-ethyl-3-oxo-2-(trifluoromethyl)butanoate; 1-propanol; zirconium(2+) IUPAC Name: 2-ethyl-3-oxo-2-(trifluoromethyl)butanoate; propan-1-ol; zirconium(2+) Traditional Name: 2-ethyl-3-keto-2-(trifluoromethyl)butyrate; propan-1-ol; zirconium(2+) Formula: C20H32F6O8Zr MolecularWeight: 605.677699

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Descriptors Computed from Structure

Canonical SMILES:

CCCO.CCCO.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

CCCO.CCCO.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/2C7H9F3O3.2C3H8O.Zr/c2*1-3-6(4(2)11,5(12)13)7(8,9)10;2*1-2-3-4;/h2*3H2,1-2H3,(H,12,13);2*4H,2-3H2,1H3;/q;;;;+2/p-2