3-[5-chloro-2-[(Z)-[5-chloro-3-(3-sulfonatopropyl)benzothiazol-2-ylidene]methyl]benzothiazol-3-yl]propane-1-sulfonate; triethylazanium

Molecular Formula: C27H35Cl2N3O6S4


InChI: InChI=1/C21H20Cl2N2O6S4.C6H15N/c22-14-3-5-18-16(11-14)24(7-1-9-34(26,27)28)20(32-18)13-21-25(8-2-10-35(29,30)31)17-12-15(23)4-6-19(17)33-21;1-4-7(5-2)6-3/h3-6,11-13H,1-2,7-10H2,(H-,26,27,28,29,30,31);4-6H2,1-3H3/fC21H19Cl2N2O6S4.C6H16N/h;7H/q-1;+1

InChIKey: InChIKey=LQSDBGYMCOPHTL-BVOPDGJGCH
SMILES: CC[NH+](CC)CC.C1=CC2=C(C=C1Cl)N(C(=CC3=[N+](C4=C(S3)C=CC(=C4)Cl)CCCS(=O)(=O)[O-])S2)CCCS(=O)(=O)[O-]

Names:
    3-[5-chloro-2-[(Z)-[5-chloro-3-(3-sulfonatopropyl)benzothiazol-2-ylidene]methyl]benzothiazol-3-yl]propane-1-sulfonate; triethylazanium

Registries:
    PubChem CID 5717529
    PubChem ID 3293122