Isethionic Acid
Isethionic_acid synonyms
Kyselina 2-hydroxyethansulfonova [Czech]; Kyselina isethionova [Czech]; 2-Hydroxyethanesulphonic acid; Ethanolsulfonic acid; 2-Hydroxyethanesulfonate; 2-Hydroxyethane-1-sulfonic acid; (2-Hydroxyethyl)sulfonic acid; 2-Hydroxyethanesulfonic acid; ISETHIONIC ACID; Isethionate; Ethanesulfonic acid, 2-hydroxy-
Graphical representations:
View large 3D structure
Molecular Formula: C2H6O4S
Natural Isotopic Abundance Mass: 126.1316400000
Mono-Isotopic Molecular Masses:
- C12N14: 125.998679371
- C13N14: 128.005389047
- C12N15: 125.998679371
- C13N15: 128.005389047
InChI string: InChI=1S/C2H6O4S/c3-1-2-7(4,5)6/h3H,1-2H2,(H,4,5,6)
IUPAC: 2-hydroxyethanesulfonic acid
PubChem Compound (CID): 7866KEGG Compound ID: C05123
CAS Registry number: 107-36-8 1561-99-5 1562-00-1 51694-03-2 57267-78-4
EINECS: 203-484-3
Beilstein Handbook Reference: 4-04-00-00084
NSC: 60516
Reference 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)