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Substance Name: Benzothiazolium, 3-ethyl-2-(7-(3-ethyl-2(3H)-benzothiazolylidene)-1,3,5-heptatrien-1-yl)-, perchlorate (1:1)
RN: 22268-66-2
InChIKey: PZQHZVAROUTGBU-UHFFFAOYSA-M

Molecular Formula

  • C25-H25-N2-S2.Cl-O4

Molecular Weight

  • 517.0675
 
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Names and Synonyms

Synonym

  • 3-Ethyl-2-(7-(3-ethylbenzothiazol-2-ylidene)-1,3,5-heptatrienyl)benzothiazolium perchlorate

Systematic Names

  • Benzothiazolium, 3-ethyl-2-(7-(3-ethyl-2(3H)-benzothiazolylidene)-1,3,5-heptatrien-1-yl)-, perchlorate (1:1)
  • Benzothiazolium, 3-ethyl-2-(7-(3-ethyl-2(3H)-benzothiazolylidene)-1,3,5-heptatrienyl)-, perchlorate

Registry Numbers

CAS Registry Number

  • 22268-66-2

System Generated Number

  • 0022268662

Molecular Formulas

Molecular Formula

  • C25-H25-N2-S2.Cl-O4

Molecular Formula Fragments

  • C25-H25-N2-S2
  • Cl-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C25H25N2S2.ClHO4/c1-3-26-20-14-10-12-16-22(20)28-24(26)18-8-6-5-7-9-19-25-27(4-2)21-15-11-13-17-23(21)29-25;2-1(3,4)5/h5-19H,3-4H2,1-2H3;(H,2,3,4,5)/q+1;/p-1

InChIKey

PZQHZVAROUTGBU-UHFFFAOYSA-M

Smiles

CC[n+]1c2ccccc2sc1/C=C/C=C/C=C/C=C\3/N(c4ccccc4S3)CC.[O-]Cl(=O)(=O)=O