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Substance Name: 1H-Benzimidazolium, 2-(3-(1,3-dihydro-1-methyl-3-(3-sulfopropyl)-5-(trifluoromethyl)-2H-benzimidazol-2-ylidene)-1-propen-1-yl)-1-methyl-3-(3-sulfopropyl)-5-(trifluoromethyl)-, inner salt, sodium salt (1:1)
RN: 63815-86-1
InChIKey: IUNMFJCYRMCJST-UHFFFAOYSA-M

Molecular Formula

  • C27-H28-F6-N4-O6-S2.Na

Molecular Weight

  • 704.642
 
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Names and Synonyms

Synonym

  • EINECS 264-480-5

Systematic Names

  • 1H-Benzimidazolium, 2-(3-(1,3-dihydro-1-methyl-3-(3-sulfopropyl)-5-(trifluoromethyl)-2H-benzimidazol-2-ylidene)-1-propen-1-yl)-1-methyl-3-(3-sulfopropyl)-5-(trifluoromethyl)-, inner salt, sodium salt (1:1)
  • 1H-Benzimidazolium, 2-(3-(1,3-dihydro-1-methyl-3-(3-sulfopropyl)-5-(trifluoromethyl)-2H-benzimidazol-2-ylidene)-1-propenyl)-1-methyl-3-(3-sulfopropyl)-5-(trifluoromethyl)-, hydroxide, inner salt, sodium salt
  • 1H-Benzimidazolium, 2-(3-(1,3-dihydro-1-methyl-3-(3-sulfopropyl)-5-(trifluoromethyl)-2H-benzimidazol-2-ylidene)-1-propenyl)-1-methyl-3-(3-sulfopropyl)-5-(trifluoromethyl)-, inner salt, sodium salt

Registry Numbers

CAS Registry Number

  • 63815-86-1

System Generated Number

  • 0063815861

Molecular Formulas

Molecular Formula

  • C27-H28-F6-N4-O6-S2.Na

Molecular Formula Fragments

  • C27-H28-F6-N4-O6-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C27H28F6N4O6S2.Na/c1-34-20-10-8-18(26(28,29)30)16-22(20)36(12-4-14-44(38,39)40)24(34)6-3-7-25-35(2)21-11-9-19(27(31,32)33)17-23(21)37(25)13-5-15-45(41,42)43;/h3,6-11,16-17H,4-5,12-15H2,1-2H3,(H-,38,39,40,41,42,43);/q;+1/p-1

InChIKey

IUNMFJCYRMCJST-UHFFFAOYSA-M

Smiles

c12c(N(C(\N2CCCS(=O)(=O)[O-])=C/C=C\c2[n+](CCCS([O-])(=O)=O)c3cc(ccc3n2C)C(F)(F)F)C)ccc(C(F)(F)F)c1.[Na+]