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Substance Name: 3,3'-Dipentylthiacarbocyanine
RN: 159021-02-0
InChIKey: LMEUJOYPQQOSLU-UHFFFAOYSA-M

Molecular Formula

  • C31-H37-N2-S2.I

Molecular Weight

  • 628.679
 
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Names and Synonyms

Name of Substance

  • 3,3'-Dipentylthiacarbocyanine

Synonyms

  • 3,3'-Dipentylthiacarbocyanine iodide
  • 3-Pentyl-2-(7-(3-pentyl-2(3H)-benzothiazolylidene)-1,3,5-heptatrienyl)benzothiazolium iodide
  • Disc5(3)

Systematic Name

  • Benzothiazolium, 3-pentyl-2-(7-(3-pentyl-2(3H)-benzothiazolylidene)-1,3,5-heptatrienyl)-, iodide

Registry Numbers

CAS Registry Number

  • 159021-02-0

System Generated Number

  • 0159021020

Molecular Formulas

Molecular Formula

  • C31-H37-N2-S2.I

Molecular Formula Fragments

  • C31-H37-N2-S2
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C31H37N2S2.HI/c1-3-5-16-24-32-26-18-12-14-20-28(26)34-30(32)22-10-8-7-9-11-23-31-33(25-17-6-4-2)27-19-13-15-21-29(27)35-31;/h7-15,18-23H,3-6,16-17,24-25H2,1-2H3;1H/q+1;/p-1

InChIKey

LMEUJOYPQQOSLU-UHFFFAOYSA-M

Smiles

C(N1\C(=C\C=C\C=C\C=C\c2[n+](c3ccccc3s2)CCCCC)Sc2c1cccc2)CCCC.[IH-]