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Substance Name: Benzothiazolium, 2-(2-methyl-3-(3-(4-sulfobutyl)-2(3H)-benzothiazolylidene)-1-propen-1-yl)-3-(4-sulfobutyl)-, inner salt
RN: 25985-63-1
InChIKey: KQZUEJLBXTXXQK-UHFFFAOYSA-N

Molecular Formula

  • C26-H30-N2-O6-S4

Molecular Weight

  • 594.795
 
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Names and Synonyms

Synonyms

  • Benzothiazolium, 2-(2-methyl-3-(3-(4-sulfobutyl)-2(3H)-benzothiazolylidene)-1-propenyl)-3-(4-sulfobutyl)-, hydroxide, inner salt
  • EINECS 247-392-1

Systematic Names

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

Registry Numbers

CAS Registry Number

  • 25985-63-1

System Generated Number

  • 0025985631

Structure Descriptors

InChI

1S/C26H30N2O6S4/c1-20(18-25-27(14-6-8-16-37(29,30)31)21-10-2-4-12-23(21)35-25)19-26-28(15-7-9-17-38(32,33)34)22-11-3-5-13-24(22)36-26/h2-5,10-13,18-19H,6-9,14-17H2,1H3,(H-,29,30,31,32,33,34)

InChIKey

KQZUEJLBXTXXQK-UHFFFAOYSA-N

Smiles

O=S(=O)(O)CCCCN1c2c(S\C1=C/C(=C/c1sc3c(cccc3)[n+]1CCCCS(=O)(=O)[O-])C)cccc2