Biological Magnetic Resonance Data BankA Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules |
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Ethanesulfonate; Ethanesulfonic acid sodium salt monohydrate; Natrium-ethansulfonat monohydrate
Molecular Formula: C2H5O3S-
Natural Isotopic Abundance Mass: 109.1243
Mono-Isotopic Molecular Masses:
InChI string: InChI=1S/C2H6O3S/c1-2-6(3,4)5/h2H2,1H3,(H,3,4,5)/p-1
PubChem Compound (CID): 3717105 16211027Reference 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)