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Substance Name: Benzothiazolium, 2-(3-(3-ethyl-5-methoxy-2(3H)-benzoselenazolylidene)-2-(2-thienyl)-1-propen-1-yl)-3-(2-hydroxyethyl)-6-methoxy-5-methyl-, bromide (1:1)
RN: 68443-89-0
InChIKey: INTMUIZLORSUOC-UHFFFAOYSA-M

Molecular Formula

  • C28-H29-N2-O3-S2-Se.Br

Molecular Weight

  • 664.544
 
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Names and Synonyms

Synonyms

  • 5',6-Dimethoxy-3'-ethyl-3-(2-hydroxyethyl)-5-methyl-9-(2-thienyl)thiaselenacarbocyanine bromide
  • EINECS 270-563-7

Systematic Names

  • 2-(3-(3-Ethyl-5-methoxybenzoselenazol-2(3H)-ylidene)-2-(thien-2-yl)prop-1-enyl)-3-(2-hydroxyethyl)-6-methoxy-5-methylbenzothiazolium bromide
  • Benzothiazolium, 2-(3-(3-ethyl-5-methoxy-2(3H)-benzoselenazolylidene)-2-(2-thienyl)-1-propen-1-yl)-3-(2-hydroxyethyl)-6-methoxy-5-methyl-, bromide (1:1)
  • Benzothiazolium, 2-(3-(3-ethyl-5-methoxy-2(3H)-benzoselenazolylidene)-2-(2-thienyl)-1-propenyl)-3-(2-hydroxyethyl)-6-methoxy-5-methyl-, bromide

Registry Numbers

CAS Registry Number

  • 68443-89-0

System Generated Number

  • 0068443890

Molecular Formulas

Molecular Formula

  • C28-H29-N2-O3-S2-Se.Br

Molecular Formula Fragments

  • Br
  • C28-H29-N2-O3-S2-Se
  • COMPONENT

Structure Descriptors

InChI

1S/C28H29N2O3S2Se.BrH/c1-5-29-22-16-20(32-3)8-9-26(22)36-28(29)15-19(24-7-6-12-34-24)14-27-30(10-11-31)21-13-18(2)23(33-4)17-25(21)35-27;/h6-9,12-17,31H,5,10-11H2,1-4H3;1H/q+1;/p-1

InChIKey

INTMUIZLORSUOC-UHFFFAOYSA-M

Smiles

[n+]1(c(sc2c1cc(c(OC)c2)C)\C=C(\C=C1\N(c2cc(OC)ccc2[Se]1)CC)c1sccc1)CCO.[BrH-]