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Substance Name: EINECS 242-344-6
RN: 18462-64-1
InChIKey: TXMPYASSIDQAKQ-UHFFFAOYSA-M

Molecular Formula

  • C29-H34-Cl4-N4-O6-S2.Na

Molecular Weight

  • 762.536
 
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Names and Synonyms

Results Name

  • EINECS 242-344-6

Synonym

  • EINECS 242-344-6

Systematic Names

  • 1H-Benzimidazolium, 5,6-dichloro-2-(3-(5,6-dichloro-1-ethyl-1,3-dihydro-3-(4-sulfobutyl)-2H-benzimidazol-2-ylidene)-1-propen-1-yl)-1-ethyl-3-(4-sulfobutyl)-, inner salt, sodium salt (1:1)
  • 1H-Benzimidazolium, 5,6-dichloro-2-(3-(5,6-dichloro-1-ethyl-1,3-dihydro-3-(4-sulfobutyl)-2H-benzimidazol-2-ylidene)-1-propenyl)-1-ethyl-3-(4-sulfobutyl)-, inner salt, sodium salt
  • Hydrogen 5,6-dichloro-2-(3-(2H-benzimidazol-2-ylidene-5,6-dichloro-1-ethyl-1,3-dihydro-3-(4-sulphonatobutyl))propen-1-yl)-1-ethyl-3-(4-sulphonatobutyl)-1H-benzimidazolium, sodium salt

Registry Numbers

CAS Registry Number

  • 18462-64-1

Other Registry Numbers

  • 76135-96-1
  • 898044-73-0

System Generated Number

  • 0018462641

Molecular Formulas

Molecular Formula

  • C29-H34-Cl4-N4-O6-S2.Na

Molecular Formula Fragments

  • C29-H34-Cl4-N4-O6-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C29H34Cl4N4O6S2.Na/c1-3-34-24-16-20(30)22(32)18-26(24)36(12-5-7-14-44(38,39)40)28(34)10-9-11-29-35(4-2)25-17-21(31)23(33)19-27(25)37(29)13-6-8-15-45(41,42)43;/h9-11,16-19H,3-8,12-15H2,1-2H3,(H-,38,39,40,41,42,43);/q;+1/p-1

InChIKey

TXMPYASSIDQAKQ-UHFFFAOYSA-M

Smiles

[Na+].c1([n+](c2c(n1CC)cc(c(c2)Cl)Cl)CCCCS(=O)(=O)[O-])\C=C\C=C1\N(c2c(N1CC)cc(c(c2)Cl)Cl)CCCCS(=O)(=O)[O-]