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Substance Name: AG 1812
RN: 114559-57-8
InChIKey: MLIYYSOHOWJSRK-UHFFFAOYSA-L

Molecular Formula

  • C32-H28-F6-N6-O2-S2.2Cl

Molecular Weight

  • 777.6392
 
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Names and Synonyms

Name of Substance

  • AG 1812

Synonyms

  • 2,2'-Dithiomethylene-bis(1-(2-benzimidazolyl)-3-methyl-4-(2,2,2-trifluoroethoxy)pyridinium)
  • AG-1812

Systematic Name

  • Pyridinium, 2,2'-(dithiobis(methylene))bis(1-(1H-benzimidazol-2-yl)-3-methyl-4-(2,2,2-trifluoroethoxy)-, dichloride

Registry Numbers

CAS Registry Number

  • 114559-57-8

System Generated Number

  • 0114559578

Molecular Formulas

Molecular Formula

  • C32-H28-F6-N6-O2-S2.2Cl

Molecular Formula Fragments

  • C32-H28-F6-N6-O2-S2
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C32H28F6N6O2S2.2ClH/c1-19-25(43(13-11-27(19)45-17-31(33,34)35)29-39-21-7-3-4-8-22(21)40-29)15-47-48-16-26-20(2)28(46-18-32(36,37)38)12-14-44(26)30-41-23-9-5-6-10-24(23)42-30;;/h3-14H,15-18H2,1-2H3,(H,39,40)(H,41,42);2*1H/q+2;;/p-2

InChIKey

MLIYYSOHOWJSRK-UHFFFAOYSA-L

Smiles

Cc1c(cc[n+](c1CSSCc2c(c(cc[n+]2c3[nH]c4ccccc4n3)OCC(F)(F)F)C)c5[nH]c6ccccc6n5)OCC(F)(F)F.[Cl-].[Cl-]