2-(2-Ethoxybut-1-Enyl)-5-Methoxy-3-(3-Sulphonatopropyl)Benzothiazolium
[CAS# 65776-61-6]

Identification

• Name: 2-(2-Ethoxybut-1-Enyl)-5-Methoxy-3-(3-Sulphonatopropyl)Benzothiazolium
• Synonyms: 3-[2-(2-Ethoxybut-1-Enyl)-5-Methoxy-1,3-Benzothiazol-3-Ium-3-Yl]Propane-1-Sulfonate; 3-[2-[(Z)-2-Ethoxybut-1-Enyl]-5-Methoxy-1,3-Benzothiazol-3-Ium-3-Yl]Propane-1-Sulfonate; Benzothiazolium, 2-(2-Ethoxy-1-Butenyl)-5-Methoxy-3-(3-Sulfopropyl)-, Inner Salt
• Molecular Formula: C₁₇H₂₃NO₅S₂
• Molecular Weight: 385.49
• CAS Registry Number: 65776-61-6
• EINECS: 265-918-8
• SMILES: C2=C1[N+](=C(SC1=CC=C2OC)C=C(OCC)CC)CCC[S]([O-])(=O)=O
• InChI: 1S/C17H23NO5S2/c1-4-13(23-5-2)12-17-18(9-6-10-25(19,20)21)15-11-14(22-3)7-8-16(15)24-17/h7-8,11-12H,4-6,9-10H2,1-3H3
• InChIKey: OCOQIXABQGDZEQ-UHFFFAOYSA-N