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Substance Name: Benzothiazolium, 2-(2-ethoxy-1-buten-1-yl)-5-methoxy-3-(3-sulfopropyl)-, inner salt
RN: 65776-61-6
InChIKey: OCOQIXABQGDZEQ-SEYXRHQNSA-N

Molecular Formula

  • C17-H23-N-O5-S2

Molecular Weight

  • 385.503
 
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Names and Synonyms

Synonyms

  • Anhydro-2-(2-ethoxy-1-butenyl)-5-methoxy-3-(3-sulfopropyl)benzothiazolium hydroxide
  • EINECS 265-918-8

Systematic Names

  • 2-(2-Ethoxybut-1-enyl)-5-methoxy-3-(3-sulphonatopropyl)benzothiazolium
  • Benzothiazolium, 2-(2-ethoxy-1-buten-1-yl)-5-methoxy-3-(3-sulfopropyl)-, inner salt
  • Benzothiazolium, 2-(2-ethoxy-1-butenyl)-5-methoxy-3-(3-sulfopropyl)-, inner salt

Registry Numbers

CAS Registry Number

  • 65776-61-6

System Generated Number

  • 0065776616

Structure Descriptors

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/b13-12-

InChIKey

OCOQIXABQGDZEQ-SEYXRHQNSA-N

Smiles

O=S(=O)([O-])CCC[n+]1c2c(sc1\C=C(/OCC)CC)ccc(OC)c2