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Substance Name: Benzothiazolium, 3-(2-carboxyethyl)-2-(3-(3-(2-carboxyethyl)-2(3H)-benzothiazolylidene)-2-methyl-1-propen-1-yl)-, inner salt
RN: 24402-80-0
InChIKey: AGZABEYUDPBTMR-UHFFFAOYSA-N

Molecular Formula

  • C24-H22-N2-O4-S2

Molecular Weight

  • 466.5798
 
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Names and Synonyms

Synonyms

  • 3-(2-Carboxyethyl)-2-(3-(3-(2-carboxyethyl)-2(3H)-benzothiazolylidene)-2-methyl-1-propenyl)benzothiazolium hydroxide, inner salt
  • EINECS 246-228-6

Systematic Names

  • Benzothiazolium, 3-(2-carboxyethyl)-2-(3-(3-(2-carboxyethyl)-2(3H)-benzothiazolylidene)-2-methyl-1-propen-1-yl)-, inner salt
  • Benzothiazolium, 3-(2-carboxyethyl)-2-(3-(3-(2-carboxyethyl)-2(3H)-benzothiazolylidene)-2-methyl-1-propenyl)-, hydroxide, inner salt
  • Benzothiazolium, 3-(2-carboxyethyl)-2-(3-(3-(2-carboxyethyl)-2(3H)-benzothiazolylidene)-2-methyl-1-propenyl)-, inner salt
  • Hydrogen 3-(2-carboxylatoethyl)-2-(3-(3-(2-carboxylatoethyl)-3H-benzothiazol-2-ylidene)-2-methylprop-1-enyl)benzothiazolium

Registry Numbers

CAS Registry Number

  • 24402-80-0

System Generated Number

  • 0024402800

Structure Descriptors

InChI

1S/C24H22N2O4S2/c1-16(14-21-25(12-10-23(27)28)17-6-2-4-8-19(17)31-21)15-22-26(13-11-24(29)30)18-7-3-5-9-20(18)32-22/h2-9,14-15H,10-13H2,1H3,(H-,27,28,29,30)

InChIKey

AGZABEYUDPBTMR-UHFFFAOYSA-N

Smiles

C/C(=C\c1[n+](c2ccccc2s1)CCC(=O)O)/C=C/3\N(c4ccccc4S3)CCC(=O)[O-]