Structure

InChI Key IHBKAGRPNRKYAO-UHFFFAOYSA-M
Smiles COS(=O)(=O)[O-].CC(=C)C(=O)OCC[N+](C)(C)C
InChI
InChI=1/C9H18NO2.CH4O4S/c1-8(2)9(11)12-7-6-10(3,4)5;1-5-6(2,3)4/h1,6-7H2,2-5H3;1H3,(H,2,3,4)/q+1;/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H21NO6S
Molecular Weight 283.11
AlogP -0.1
Hydrogen Bond Acceptor 6.0
Number of Rotational Bond 5.0
Polar Surface Area 92.73
Heavy Atoms 18.0

Cross References

Resources Reference
CAS NUMBER 6891-44-7
NORMAN SUSDAT