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Substance Name: Benzoselenazolium, 3-(2-carboxyethyl)-2-(2-((3-(2-carboxyethyl)-5-methyl-2(3H)-benzoselenazolylidene)methyl)-1-buten-1-yl)-5-methyl-, bromide (1:1)
RN: 89703-05-9
InChIKey: SKHZPPORJXRKBC-UHFFFAOYSA-N

Molecular Formula

  • C27-H29-N2-O4-Se2.Br

Molecular Weight

  • 683.36
 
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Names and Synonyms

Synonym

  • EINECS 289-516-7

Systematic Names

  • 3-(2-Carboxyethyl)-2-(2-((3-(2-carboxyethyl)-5-methyl-(3H)-benzoselenazol-2-ylidene)methyl)but-1-enyl)-5-methylbenzoselenazolium bromide
  • Benzoselenazolium, 3-(2-carboxyethyl)-2-(2-((3-(2-carboxyethyl)-5-methyl-2(3H)-benzoselenazolylidene)methyl)-1-buten-1-yl)-5-methyl-, bromide (1:1)
  • Benzoselenazolium, 3-(2-carboxyethyl)-2-(2-((3-(2-carboxyethyl)-5-methyl-2(3H)-benzoselenazolylidene)methyl)-1-butenyl)-5-methyl-, bromide

Registry Numbers

CAS Registry Number

  • 89703-05-9

System Generated Number

  • 0089703059

Molecular Formulas

Molecular Formula

  • C27-H29-N2-O4-Se2.Br

Molecular Formula Fragments

  • Br
  • C27-H29-N2-O4-Se2
  • COMPONENT

Structure Descriptors

InChI

1S/C27H28N2O4Se2.BrH/c1-4-19(15-24-28(11-9-26(30)31)20-13-17(2)5-7-22(20)34-24)16-25-29(12-10-27(32)33)21-14-18(3)6-8-23(21)35-25;/h5-8,13-16H,4,9-12H2,1-3H3,(H-,30,31,32,33);1H

InChIKey

SKHZPPORJXRKBC-UHFFFAOYSA-N

Smiles

[se]1c([n+](c2c1ccc(c2)C)CCC(=O)O)\C=C(\CC)\C=C1\[Se]c2c(N1CCC(=O)O)cc(cc2)C.[BrH-]