2-ethyl-5,5,6,6,6-pentakis(fluoranyl)-3-oxidanylidene-hexanoate; 2-methylbutan-2-ol; zirconium(2+)

Systemtic Name: 2-ethyl-5,5,6,6,6-pentakis(fluoranyl)-3-oxidanylidene-hexanoate; 2-methylbutan-2-ol; zirconium(2+) Openeye Name: 2-ethyl-5,5,6,6,6-pentafluoro-3-oxo-hexanoate; 2-methylbutan-2-ol; zirconium(2+) CAS Name: 2-ethyl-5,5,6,6,6-pentafluoro-3-oxohexanoate; 2-methyl-2-butanol; zirconium(2+) IUPAC Name: 2-ethyl-5,5,6,6,6-pentafluoro-3-oxohexanoate; 2-methylbutan-2-ol; zirconium(2+) Traditional Name: 2-ethyl-5,5,6,6,6-pentafluoro-3-keto-hexanoate; 2-methylbutan-2-ol; zirconium(2+) Formula: C26H40F10O8Zr MolecularWeight: 761.799032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C8H9F5O3.2C5H12O.Zr/c2*1-2-4(6(15)16)5(14)3-7(9,10)8(11,12)13;2*1-4-5(2,3)6;/h2*4H,2-3H2,1H3,(H,15,16);2*6H,4H2,1-3H3;/q;;;;+2/p-2