4-[2-(2-Ethoxyprop-1-Enyl)-1,3-Benzothiazol-3-Ium-3-Yl]Butane-2-Sulfonate
[CAS# 52123-15-6]

Identification

• Name: 4-[2-(2-Ethoxyprop-1-Enyl)-1,3-Benzothiazol-3-Ium-3-Yl]Butane-2-Sulfonate
• Synonyms: Benzothiazolium, 2-(2-Ethoxy-1-Propenyl)-3-(3-Sulfobutyl)-, Inner Salt
• Molecular Formula: C₁₆H₂₁NO₄S₂
• Molecular Weight: 355.47
• CAS Registry Number: 52123-15-6
• SMILES: C2=C1[N+](=C(SC1=CC=C2)C=C(OCC)C)CCC([S]([O-])(=O)=O)C
• InChI: 1S/C16H21NO4S2/c1-4-21-12(2)11-16-17(10-9-13(3)23(18,19)20)14-7-5-6-8-15(14)22-16/h5-8,11,13H,4,9-10H2,1-3H3
• InChIKey: UFJCXYKTYMDASD-UHFFFAOYSA-N