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Substance Name: 3-(2-Carboxyethyl)-2-(2-((3-ethyl-5-methyl-3H-benzothiazol-2-ylidene)methyl)but-1-enyl)-5-methylbenzothiazolium iodide
RN: 37422-04-1
InChIKey: YPOWWYMDBQEBAD-UHFFFAOYSA-N

Molecular Formula

  • C26-H29-N2-O2-S2.I

Molecular Weight

  • 592.5591
 
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Names and Synonyms

Synonym

  • EINECS 253-503-4

Systematic Name

  • 3-(2-Carboxyethyl)-2-(2-((3-ethyl-5-methyl-3H-benzothiazol-2-ylidene)methyl)but-1-enyl)-5-methylbenzothiazolium iodide

Registry Numbers

CAS Registry Number

  • 37422-04-1

System Generated Number

  • 0037422041

Molecular Formulas

Molecular Formula

  • C26-H29-N2-O2-S2.I

Molecular Formula Fragments

  • C26-H29-N2-O2-S2
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C26H28N2O2S2.HI/c1-5-19(15-24-27(6-2)20-13-17(3)7-9-22(20)31-24)16-25-28(12-11-26(29)30)21-14-18(4)8-10-23(21)32-25;/h7-10,13-16H,5-6,11-12H2,1-4H3;1H

InChIKey

YPOWWYMDBQEBAD-UHFFFAOYSA-N

Smiles

CC/C(=C/c1[n+](c2cc(ccc2s1)C)CCC(=O)O)/C=C\3/N(c4cc(ccc4S3)C)CC.[I-]