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Substance Name: Benzothiazolium, 3-(2-carboxyethyl)-2-(2-((3-(2-carboxyethyl)-2(3H)-benzothiazolylidene)methyl)-1-buten-1-yl)-, inner salt
RN: 35379-58-9
InChIKey: KDSIASSODAWJDE-UHFFFAOYSA-N

Molecular Formula

  • C25-H24-N2-O4-S2

Molecular Weight

  • 480.607
 
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Names and Synonyms

Synonyms

  • 3-(2-Carboxyethyl)-2-(3-(3-(2-carboxyethyl)-2(3H)-benzothiazolylidene)-2-ethyl-1-propenyl)benzothiazolium hydroxide inner salt
  • EINECS 252-536-1

Systematic Names

  • Benzothiazolium, 3-(2-carboxyethyl)-2-(2-((3-(2-carboxyethyl)-2(3H)-benzothiazolylidene)methyl)-1-buten-1-yl)-, inner salt
  • Benzothiazolium, 3-(2-carboxyethyl)-2-(2-((3-(2-carboxyethyl)-2(3H)-benzothiazolylidene)methyl)-1-butenyl)-, inner salt
  • Hydrogen 3-(2-carboxylatoethyl)-2-(2-((3-(2-carboxylatoethyl)-3H-benzothiazol-2-ylidene)methyl)but-1-enyl)benzothiazolium

Registry Numbers

CAS Registry Number

  • 35379-58-9

System Generated Number

  • 0035379589

Structure Descriptors

InChI

1S/C25H24N2O4S2/c1-2-17(15-22-26(13-11-24(28)29)18-7-3-5-9-20(18)32-22)16-23-27(14-12-25(30)31)19-8-4-6-10-21(19)33-23/h3-10,15-16H,2,11-14H2,1H3,(H-,28,29,30,31)

InChIKey

KDSIASSODAWJDE-UHFFFAOYSA-N

Smiles

O=C(O)CCN1c2c(S\C1=C/C(=C/c1sc3c(cccc3)[n+]1CCC(=O)[O-])CC)cccc2