Keyword(s): Human Metabolites
Molecule Category Salt-form
EPA CompTox DTXSID80880569

Structure

InChI Key UYUOZBNZXQYEJL-ZCFIWIBFSA-N
Smiles C(NC(OCC)=O)C(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCS[S]([O-])(=O)=O.[K+]
InChI
InChI=1S/C13H14F13NO5S2./c1-2-32-7(28)27-5-6(3-4-33-34(29,30)31)8(14,15)9(16,17)10(18,19)11(20,21)12(22,23)13(24,25)26;/h6H,2-5H2,1H3,(H,27,28)(H,29,30,31);/q;+1/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H14F13N1O5S2

Cross References

Resources Reference
CAS NUMBER 67846-66-6
NORMAN SUSDAT