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 Structure |
 |
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 |
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