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

Molecular Formula: C14H19NO7S4


InChI: InChI=1/C14H19NO7S4/c1-22-11-4-5-13-12(10-11)15(6-2-8-25(16,17)18)14(24-13)23-7-3-9-26(19,20)21/h4-5,10H,2-3,6-9H2,1H3,(H-,16,17,18,19,20,21)/f/h19H

InChIKey: InChIKey=MHQKHKBFHOLAMA-LILDFLRNCU
SMILES: COC1=CC2=C(C=C1)SC(=[N+]2CCCS(=O)(=O)[O-])SCCCS(=O)(=O)O

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

Registries:
    PubChem CID 2827571
    PubChem ID 3290433