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Substance Name: 3,3'-Dibutyl-2,2'-dithiacarbocyanine
RN: 53213-95-9
InChIKey: FZQDCNSJSUBFFD-UHFFFAOYSA-M

Molecular Formula

  • C27-H31-N2-S2.I

Molecular Weight

  • 574.5879
 
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Names and Synonyms

Name of Substance

  • 3,3'-Dibutyl-2,2'-dithiacarbocyanine

Synonyms

  • Dis C4-(5)
  • Dis-C4(5) iodide

Systematic Name

  • Benzothiazolium, 3-butyl-2-(5-(3-butyl-2(3H)-benzothiazolylidene)-1,3-pentadienyl)-, iodide

Registry Numbers

CAS Registry Number

  • 53213-95-9

System Generated Number

  • 0053213959

Molecular Formulas

Molecular Formula

  • C27-H31-N2-S2.I

Molecular Formula Fragments

  • C27-H31-N2-S2
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C27H31N2S2.HI/c1-3-5-20-28-22-14-10-12-16-24(22)30-26(28)18-8-7-9-19-27-29(21-6-4-2)23-15-11-13-17-25(23)31-27;/h7-19H,3-6,20-21H2,1-2H3;1H/q+1;/p-1

InChIKey

FZQDCNSJSUBFFD-UHFFFAOYSA-M

Smiles

CCCC[n+]1c2ccccc2sc1/C=C/C=C/C=C\3/N(c4ccccc4S3)CCCC.[I-]