sodium 2,5-dimethylbenzenesulfonate hydrate

Molecular Formula: C8H11NaO4S


InChI: InChI=1/C8H10O3S.Na.H2O/c1-6-3-4-7(2)8(5-6)12(9,10)11;;/h3-5H,1-2H3,(H,9,10,11);;1H2/q;+1;/p-1/fC8H9O3S.Na.H2O/q-1;m;

InChIKey: InChIKey=CXWDJOMAVKAMER-FEUMUALSCG
SMILES: CC1=CC(=C(C=C1)C)S(=O)(=O)[O-].O.[Na+]

Names:
    sodium 2,5-dimethylbenzenesulfonate hydrate

Registries:
    PubChem CID 2735022
    PubChem ID 3156738