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Substance Name: Benzothiazolium, 5-chloro-2-(3-(5-chloro-3-(4-sulfobutyl)-2(3H)-benzothiazolylidene)-2-methyl-1-propen-1-yl)-3-(4-sulfobutyl)-, inner salt
RN: 30457-67-1
InChIKey: YZCQPIXUPCHLBO-UHFFFAOYSA-N

Molecular Formula

  • C26-H28-Cl2-N2-O6-S4

Molecular Weight

  • 663.685
 
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Names and Synonyms

Synonym

  • EINECS 250-209-8

Systematic Names

  • Benzothiazolium, 5-chloro-2-((5-chloro-3-(4-sulfobutyl)-2(3H)-benzothiazolylidene)-2-methyl-1-propenyl)-3-(4-sulfobutyl)-, inner salt
  • Benzothiazolium, 5-chloro-2-(3-(5-chloro-3-(4-sulfobutyl)-2(3H)-benzothiazolylidene)-2-methyl-1-propen-1-yl)-3-(4-sulfobutyl)-, inner salt
  • Hydrogen-5-chloro-2-((5-chloro-3-(4-sulphonatobutyl)-3H-benzothiazol-2-ylidene)-2-methylprop-1-enyl)-3-(4-sulphonatobutyl)benzothiazolium

Registry Numbers

CAS Registry Number

  • 30457-67-1

System Generated Number

  • 0030457671

Structure Descriptors

InChI

1S/C26H28Cl2N2O6S4/c1-18(14-25-29(10-2-4-12-39(31,32)33)21-16-19(27)6-8-23(21)37-25)15-26-30(11-3-5-13-40(34,35)36)22-17-20(28)7-9-24(22)38-26/h6-9,14-17H,2-5,10-13H2,1H3,(H-,31,32,33,34,35,36)

InChIKey

YZCQPIXUPCHLBO-UHFFFAOYSA-N

Smiles

s1c([n+](c2c1ccc(c2)Cl)CCCCS(=O)(=O)[O-])\C=C(\C=C1\Sc2c(N1CCCCS(=O)(=O)O)cc(cc2)Cl)C