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Substance Name: Benzoxazolium, 2-(2-ethoxy-1-buten-1-yl)-5-phenyl-3-(3-sulfopropyl)-, inner salt
RN: 68025-27-4
InChIKey: HBFKQGKELXIJKJ-MNDPQUGUSA-N

Molecular Formula

  • C22-H25-N-O5-S

Molecular Weight

  • 415.508
 
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Names and Synonyms

Synonyms

  • 2-(2-Ethoxy-1-butenyl)-5-phenyl-3-(3-sulfopropyl)benzoxazolium inner salt
  • Anhydro-2-(2-ethoxy-1-butenyl)-5-phenyl-3-(3-sulfopropyl)benzoxazolium hydroxide
  • EINECS 268-185-2

Systematic Names

  • 2-(2-Ethoxybut-1-enyl)-5-phenyl-3-(3-sulphonatopropyl)benzoxazolium
  • Benzoxazolium, 2-(2-ethoxy-1-buten-1-yl)-5-phenyl-3-(3-sulfopropyl)-, inner salt
  • Benzoxazolium, 2-(2-ethoxy-1-butenyl)-5-phenyl-3-(3-sulfopropyl)-, inner salt

Registry Numbers

CAS Registry Number

  • 68025-27-4

System Generated Number

  • 0068025274

Structure Descriptors

InChI

1S/C22H25NO5S/c1-3-19(27-4-2)16-22-23(13-8-14-29(24,25)26)20-15-18(11-12-21(20)28-22)17-9-6-5-7-10-17/h5-7,9-12,15-16H,3-4,8,13-14H2,1-2H3/b19-16-

InChIKey

HBFKQGKELXIJKJ-MNDPQUGUSA-N

Smiles

O=S(=O)([O-])CCC[n+]1c2c(oc1\C=C(/OCC)CC)ccc(c1ccccc1)c2