2-ethyl-3-oxidanylidene-2-(trifluoromethyl)butanoate; oxidanylidenezirconium(2+); propan-2-one

Systemtic Name: 2-ethyl-3-oxidanylidene-2-(trifluoromethyl)butanoate; oxidanylidenezirconium(2+); propan-2-one Openeye Name: acetone; 2-ethyl-3-oxo-2-(trifluoromethyl)butanoate; oxozirconium(2+) CAS Name: 2-ethyl-3-oxo-2-(trifluoromethyl)butanoate; oxozirconium(2+); 2-propanone IUPAC Name: 2-ethyl-3-oxo-2-(trifluoromethyl)butanoate; oxozirconium(2+); propan-2-one Traditional Name: acetone; 2-ethyl-3-keto-2-(trifluoromethyl)butyrate; ketozirconium(2+) Formula: C17H22F6O8Zr MolecularWeight: 559.566199

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C7H9F3O3.C3H6O.O.Zr/c2*1-3-6(4(2)11,5(12)13)7(8,9)10;1-3(2)4;;/h2*3H2,1-2H3,(H,12,13);1-2H3;;/q;;;;+2/p-2