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

Systemtic Name: butan-1-ol; 2-ethyl-3-oxidanylidene-2-(trifluoromethyl)butanoate; zirconium(2+) Openeye Name: butan-1-ol; 2-ethyl-3-oxo-2-(trifluoromethyl)butanoate; zirconium(2+) CAS Name: 1-butanol; 2-ethyl-3-oxo-2-(trifluoromethyl)butanoate; zirconium(2+) IUPAC Name: butan-1-ol; 2-ethyl-3-oxo-2-(trifluoromethyl)butanoate; zirconium(2+) Traditional Name: butan-1-ol; 2-ethyl-3-keto-2-(trifluoromethyl)butyrate; zirconium(2+) Formula: C22H36F6O8Zr MolecularWeight: 633.730859

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Descriptors Computed from Structure

Canonical SMILES:

CCCCO.CCCCO.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

CCCCO.CCCCO.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/2C7H9F3O3.2C4H10O.Zr/c2*1-3-6(4(2)11,5(12)13)7(8,9)10;2*1-2-3-4-5;/h2*3H2,1-2H3,(H,12,13);2*5H,2-4H2,1H3;/q;;;;+2/p-2