3-(6-methoxy-2,5-dimethyl-benzothiazol-3-yl)propane-1-sulfonate

Molecular Formula: C13H17NO4S2


InChI: InChI=1/C13H17NO4S2/c1-9-7-11-13(8-12(9)18-3)19-10(2)14(11)5-4-6-20(15,16)17/h7-8H,4-6H2,1-3H3

InChIKey: InChIKey=KUKSDGDMBLTVEW-UHFFFAOYAN
SMILES: CC1=CC2=C(C=C1OC)SC(=[N+]2CCCS(=O)(=O)[O-])C

Names:
    3-(6-methoxy-2,5-dimethyl-benzothiazol-3-yl)propane-1-sulfonate

Registries:
    PubChem CID 114281
    PubChem ID 10236278