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

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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 CAS#: 53061-07-7, 5-Chloro-2-Methyl-3-(4-Sulfobutyl)-Benzothiazolium 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
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