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
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