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Substance Name: Benzoxazolium, 5-chloro-2-(2-((5-chloro-3-ethyl-2(3H)-benzoxazolylidene)methyl)-1-buten-1-yl)-3-(3-sulfopropyl)-, inner salt
RN: 63148-87-8
InChIKey: XTSMIHWGFVIPIR-UHFFFAOYSA-N

Molecular Formula

  • C24-H24-Cl2-N2-O5-S

Molecular Weight

  • 523.435
 
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Names and Synonyms

Synonym

  • EINECS 263-939-7

Systematic Names

  • 5-Chloro-2-(2-((5-chloro-3-ethyl-3H-benzoxazol-2-ylidene)methyl)but-1-enyl)-3-(3-sulphonatopropyl)benzoxazolium
  • Benzoxazolium, 5-chloro-2-(2-((5-chloro-3-ethyl-2(3H)-benzoxazolylidene)methyl)-1-buten-1-yl)-3-(3-sulfopropyl)-, inner salt
  • Benzoxazolium, 5-chloro-2-(2-((5-chloro-3-ethyl-2(3H)-benzoxazolylidene)methyl)-1-butenyl)-3-(3-sulfopropyl)-, inner salt

Registry Numbers

CAS Registry Number

  • 63148-87-8

Other Registry Number

  • 63969-50-6

System Generated Number

  • 0063148878

Structure Descriptors

InChI

1S/C24H24Cl2N2O5S/c1-3-16(12-23-27(4-2)19-14-17(25)6-8-21(19)32-23)13-24-28(10-5-11-34(29,30)31)20-15-18(26)7-9-22(20)33-24/h6-9,12-15H,3-5,10-11H2,1-2H3

InChIKey

XTSMIHWGFVIPIR-UHFFFAOYSA-N

Smiles

O=S(=O)([O-])CCC[n+]1c2cc(ccc2oc1\C=C(\CC)\C=C1/Oc2c(cc(cc2)Cl)N1CC)Cl