3-[5-chloro-2-(3-sulfopropylsulfanyl)benzothiazol-3-yl]propane-1-sulfonate

Molecular Formula: C₁₃H₁₆ClNO₆S₄

InChI: InChI=1/C13H16ClNO6S4/c14-10-3-4-12-11(9-10)15(5-1-7-24(16,17)18)13(23-12)22-6-2-8-25(19,20)21/h3-4,9H,1-2,5-8H2,(H-,16,17,18,19,20,21)/f/h19H

InChIKey: InChIKey=WMWBBWXKVNVBAW-LILDFLRNCT
SMILES: C1=CC2=C(C=C1Cl)[N+](=C(S2)SCCCS(=O)(=O)O)CCCS(=O)(=O)[O-]

Names:
    3-[5-chloro-2-(3-sulfopropylsulfanyl)benzothiazol-3-yl]propane-1-sulfonate

Registries:
    PubChem CID 2828807
    PubChem ID 3293102