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Substance Name: Benzothiazolium, 3-(2-hydroxyethyl)-2-(5-(3-(2-hydroxyethyl)-2(3H)-benzothiazolylidene)-1,3-pentadien-1-yl)-, bromide (1:1)
RN: 18371-33-0
InChIKey: FSILXDXZXIDNAO-UHFFFAOYSA-M

Molecular Formula

  • C23-H23-N2-O2-S2.Br

Molecular Weight

  • 503.483
 
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Names and Synonyms

Synonym

  • EINECS 242-247-9

Systematic Names

  • 3-(2-Hydroxyethyl)-2-(5-(3-(2-hydroxyethyl)-3H-benzothiazol-2-ylidene)penta-1,3-dienyl)benzothiazolium bromide
  • Benzothiazolium, 3-(2-hydroxyethyl)-2-(5-(3-(2-hydroxyethyl)-2(3H)-benzothiazolylidene)-1,3-pentadien-1-yl)-, bromide (1:1)
  • Benzothiazolium, 3-(2-hydroxyethyl)-2-(5-(3-(2-hydroxyethyl)-2(3H)-benzothiazolylidene)-1,3-pentadienyl)-, bromide

Registry Numbers

CAS Registry Number

  • 18371-33-0

System Generated Number

  • 0018371330

Molecular Formulas

Molecular Formula

  • C23-H23-N2-O2-S2.Br

Molecular Formula Fragments

  • Br
  • C23-H23-N2-O2-S2
  • COMPONENT

Structure Descriptors

InChI

1S/C23H23N2O2S2.BrH/c26-16-14-24-18-8-4-6-10-20(18)28-22(24)12-2-1-3-13-23-25(15-17-27)19-9-5-7-11-21(19)29-23;/h1-13,26-27H,14-17H2;1H/q+1;/p-1

InChIKey

FSILXDXZXIDNAO-UHFFFAOYSA-M

Smiles

s1c2ccccc2[n+](c1\C=C/C=C\C=C1\N(c2ccccc2S1)CCO)CCO.[BrH-]