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Substance Name: 1H-Benzimidazolium, 6-chloro-2-(3-(5-chloro-3-ethyl-1,3-dihydro-1-(4-sulfobutyl)-6-(trifluoromethyl)-2H-benzimidazol-2-ylidene)-1-propen-1-yl)-1-ethyl-3-(4-sulfobutyl)-5-(trifluoromethyl)-, inner salt, sodium salt (1:1)
RN: 33628-07-8
InChIKey: RYNJTCIHLVYZOG-UHFFFAOYSA-M

Molecular Formula

  • C31-H34-Cl2-F6-N4-O6-S2.Na

Molecular Weight

  • 829.64
 
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Names and Synonyms

Synonyms

  • Benzimidazolium, 6-chloro-2-(3-(5-chloro-3-ethyl-1-(4-sulfobutyl)-6-(trifluoromethyl)-2-benzimidazolinylidene)propenyl)-1-ethyl-3-(4-sulfobutyl)-5-(trifluoromethyl)-, hydroxide, inner salt, sodium salt
  • EINECS 251-605-3

Systematic Names

  • 1H-Benzimidazolium, 5-chloro-2-(3-(5-chloro-3-ethyl-1,3-dihydro-1-(4-sulfobutyl)-6-(trifluoromethyl)-2H-benzimidazol-2-ylidene)-1-propenyl)-3-ethyl-1-(4-sulfobutyl)-6-(trifluoromethyl)-, hydroxide, inner salt, sodium salt
  • 1H-Benzimidazolium, 5-chloro-2-(3-(5-chloro-3-ethyl-1,3-dihydro-1-(4-sulfobutyl)-6-(trifluoromethyl)-2H-benzimidazol-2-ylidene)-1-propenyl)-3-ethyl-1-(4-sulfobutyl)-6-(trifluoromethyl)-, inner salt, sodium salt
  • 1H-Benzimidazolium, 6-chloro-2-(3-(5-chloro-3-ethyl-1,3-dihydro-1-(4-sulfobutyl)-6-(trifluoromethyl)-2H-benzimidazol-2-ylidene)-1-propen-1-yl)-1-ethyl-3-(4-sulfobutyl)-5-(trifluoromethyl)-, inner salt, sodium salt (1:1)

Registry Numbers

CAS Registry Number

  • 33628-07-8

System Generated Number

  • 0033628078

Molecular Formulas

Molecular Formula

  • C31-H34-Cl2-F6-N4-O6-S2.Na

Molecular Formula Fragments

  • C31-H34-Cl2-F6-N4-O6-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C31H34Cl2F6N4O6S2.Na/c1-3-40-26-18-22(32)20(30(34,35)36)16-24(26)42(12-5-7-14-50(44,45)46)28(40)10-9-11-29-41(4-2)27-19-23(33)21(31(37,38)39)17-25(27)43(29)13-6-8-15-51(47,48)49;/h9-11,16-19H,3-8,12-15H2,1-2H3,(H-,44,45,46,47,48,49);/q;+1/p-1

InChIKey

RYNJTCIHLVYZOG-UHFFFAOYSA-M

Smiles

C(N1c2cc(c(cc2N(\C1=C/C=C/c1n(c2c([n+]1CC)cc(Cl)c(C(F)(F)F)c2)CCCCS(=O)(=O)[O-])CC)Cl)C(F)(F)F)CCCS(=O)(=O)[O-].[Na+]