Molecular Formula: C8H9NO3S
Natural Isotopic Abundance Mass: 199.22696
Mono-Isotopic Molecular Masses:
InChI string: InChI=1S/C8H9NO3S/c9-8(10)6-13(11,12)7-4-2-1-3-5-7/h1-5H,6H2,(H2,9,10)
EU-OPENSCREEN: EOS102712Reference data were obtained primarily from the PubChem database.
Three dimensional molecular rendering uses Jmol.
InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)