5-Chloro-2-Methyl-3-(4-Sulfobutyl)-Benzothiazolium Inner Salt
[CAS# 53061-07-7]

Identification

• Name: 5-Chloro-2-Methyl-3-(4-Sulfobutyl)-Benzothiazolium Inner Salt
• Synonyms: 5-Chloro-2-Methyl-3-(4-Sulphonatobutyl)Benzothiazolium; Anhydro-5-Chloro-2-Methyl-3-(4-Sulfobutyl)Benzothiazolium Hydroxide; Benzothiazolium, 5-Chloro-2-Methyl-3-(4-Sulfobutyl)-, Hydroxide, Inner Salt
• Molecular Formula: C₁₂H₁₄ClNO₃S₂
• Molecular Weight: 319.82
• CAS Registry Number: 53061-07-7
• EINECS: 258-335-5
• SMILES: C1=C(Cl)C=CC2=C1[N+](=C(C)S2)CCCC[S](=O)(=O)[O-]
• InChI: 1S/C12H14ClNO3S2/c1-9-14(6-2-3-7-19(15,16)17)11-8-10(13)4-5-12(11)18-9/h4-5,8H,2-3,6-7H2,1H3
• InChIKey: PMWSHQYEXQSZEJ-UHFFFAOYSA-N