isethionate

Chemical Formula:

C₂H₅O₄S

Molecular Weight:

125.119 Daltons

Monoisotopic Mass:

125.998679371 Daltons

SMILES:

C(CO)S(=O)(=O)[O-]

InChI:

1S/C2H6O4S/c3-1-2-7(4,5)6/h3H,1-2H2,(H,4,5,6)/p-1

InChIKey:

SUMDYPCJJOFFON-UHFFFAOYSA-M

Synonyms

isethionic acid
2-hydroxyethanesulfonate
2-hydroxyethanesulfonic acid
2-hydroxyethane-1-sulfonic acid

Databases

MetaCyc: CPD-3745

RefMet: 2-Hydroxyethanesulfonate

BiGG: isetac

HMDB: HMDB03903

ChemSpider: 3176358

ChEBI: 61904

PubChem (CID): 3955599 7866

KEGG: C05123

Seed: cpd03048

MetaNetX: MNXM1630

CAS: 107-36-8