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Substance Name: Benzoxazolium, 3-ethyl-2-(2-((3-ethyl-5-phenyl-2(3H)-benzoxazolylidene)methyl)-1-buten-1-yl)-5-phenyl-, bromide (1:1)
RN: 28118-15-2
InChIKey: BUTFUHVAKJPHHB-UHFFFAOYSA-M

Molecular Formula

  • C35-H33-N2-O2.Br

Molecular Weight

  • 593.562
 
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Names and Synonyms

Synonym

  • EINECS 248-852-4

Systematic Names

  • 3-Ethyl-2-(2-((3-ethyl-5-phenyl-3H-benzoxazol-2-ylidene)methyl)but-1-enyl)-5-phenylbenzoxazolium bromide
  • Benzoxazolium, 3-ethyl-2-(2-((3-ethyl-5-phenyl-2(3H)-benzoxazolylidene)methyl)-1-buten-1-yl)-5-phenyl-, bromide (1:1)
  • Benzoxazolium, 3-ethyl-2-(2-((3-ethyl-5-phenyl-2(3H)-benzoxazolylidene)methyl)-1-butenyl)-5-phenyl-, bromide

Registry Numbers

CAS Registry Number

  • 28118-15-2

Other Registry Number

  • 123599-13-3

System Generated Number

  • 0028118152

Molecular Formulas

Molecular Formula

  • C35-H33-N2-O2.Br

Molecular Formula Fragments

  • Br
  • C35-H33-N2-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C35H33N2O2.BrH/c1-4-25(21-34-36(5-2)30-23-28(17-19-32(30)38-34)26-13-9-7-10-14-26)22-35-37(6-3)31-24-29(18-20-33(31)39-35)27-15-11-8-12-16-27;/h7-24H,4-6H2,1-3H3;1H/q+1;/p-1

InChIKey

BUTFUHVAKJPHHB-UHFFFAOYSA-M

Smiles

c1ccc(c2ccc3[o+]c(n(c3c2)CC)\C=C(/C=C2/Oc3ccc(cc3N2CC)c2ccccc2)CC)cc1.[BrH-]