ethyl 2,4,4-tris(fluoranyl)-3-oxidanylidene-butanoate hydrate

Systemtic Name: ethyl 2,4,4-tris(fluoranyl)-3-oxidanylidene-butanoate hydrate Openeye Name: ethyl 2,4,4-trifluoro-3-oxo-butanoate hydrate CAS Name: 2,4,4-trifluoro-3-oxobutanoic acid ethyl ester hydrate IUPAC Name: ethyl 2,4,4-trifluoro-3-oxobutanoate hydrate Traditional Name: 2,4,4-trifluoro-3-keto-butyric acid ethyl ester hydrate Formula: C6H9F3O4 MolecularWeight: 202.12847

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)C(F)F)F.O

Isomeric SMILES

CCOC(=O)C(C(=O)C(F)F)F.O

InChI

InChI=1S/C6H7F3O3.H2O/c1-2-12-6(11)3(7)4(10)5(8)9;/h3,5H,2H2,1H3;1H2