3-(5-methyl-2-methylsulfanyl-benzothiazol-3-yl)propane-1-sulfonate

Molecular Formula: C12H15NO3S3


InChI: InChI=1/C12H15NO3S3/c1-9-4-5-11-10(8-9)13(12(17-2)18-11)6-3-7-19(14,15)16/h4-5,8H,3,6-7H2,1-2H3

InChIKey: InChIKey=DUCBNCDXXFMDEA-UHFFFAOYAH
SMILES: CC1=CC2=C(C=C1)SC(=[N+]2CCCS(=O)(=O)[O-])SC

Names:
    3-(5-methyl-2-methylsulfanyl-benzothiazol-3-yl)propane-1-sulfonate

Registries:
    PubChem CID 4181508
    PubChem ID 8376919