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Substance Name: TOTO 3
RN: 166196-17-4
InChIKey: JGRUGFGFHIPFGW-UHFFFAOYSA-J

Molecular Formula

  • C53-H62-N6-S2.4I

Molecular Weight

  • 1350.82
 
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Names and Synonyms

Results Name

  • TOTO 3

Synonym

  • 1,1'-(1,3-propanediylbis((dimethyliminio)-3,1-propanediyl))bis(4-(3-(3-methyl-2(3H)-benzothiazolylidene)-1-propenyl)quinolinium) tetraiodide

Systematic Name

  • Quinolinium, 1,1'-(1,3-propanediylbis((dimethyliminio)-3,1-propanediyl))bis(4-(3-(3-methyl-2(3H)-benzothiazolylidene)-1-propenyl)-, tetraiodide

Registry Numbers

CAS Registry Number

  • 166196-17-4

Other Registry Numbers

  • 169454-18-6
  • 361437-90-3

System Generated Number

  • 0166196174

Molecular Formulas

Molecular Formula

  • C53-H62-N6-S2.4I

Molecular Formula Fragments

  • C53-H62-N6-S2
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C53H58N6S2.4HI/c1-54(2)42(34-38-58-36-32-40(44-22-7-9-24-46(44)58)18-15-30-52-56(5)48-26-11-13-28-50(48)60-52)20-17-21-43(55(3)4)35-39-59-37-33-41(45-23-8-10-25-47(45)59)19-16-31-53-57(6)49-27-12-14-29-51(49)61-53;;;;/h7-16,18-19,22-33,36-37H,17,20-21,34-35,38-39H2,1-6H3;4*1H/q+4;;;;/p-4

InChIKey

JGRUGFGFHIPFGW-UHFFFAOYSA-J

Smiles

C(CCC(\CC[n+]1ccc(c2ccccc12)\C=C\C=C1\Sc2c(N1C)cccc2)=[N+](/C)C)C(\CC[n+]1ccc(c2ccccc12)\C=C\C=C1/Sc2c(N1C)cccc2)=[N+](/C)C.[IH-].[IH-].[IH-].[IH-]