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Substance Name: EINECS 267-114-2
RN: 67800-90-2
InChIKey: BQCFAMNITPBJLY-HRAZVBIYSA-L

Molecular Formula

  • C34-H43-Cl-N4-O.2Cl-O4

Molecular Weight

  • 758.092
 
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Names and Synonyms

Results Name

  • EINECS 267-114-2

Synonyms

  • 5'-Chloro-3,3'-diethyl-1'-(gamma-triethylammoniumpropyl)-2,2'-(4,5-benzoxa)benzimidazolocarbocyanine diperchlorate
  • EINECS 267-114-2

Systematic Names

  • 2-(3-(5-Chloro-3-ethyl-1,3-dihydro-1-(3-(triethylammonio)propyl)-2H-benzimidazol-2-ylidene)-1-propenyl)-1-ethylnaphth(1,2-d)oxazolium diperchlorate
  • Naphth(1,2-d)oxazolium, 2-(3-(5-chloro-3-ethyl-1,3-dihydro-1-(3-(triethylammonio)propyl)-2H-benzimidazol-2-ylidene)-1-propen-1-yl)-1-ethyl-, perchlorate (1:2)
  • Naphth(1,2-d)oxazolium, 2-(3-(5-chloro-3-ethyl-1,3-dihydro-1-(3-(triethylammonio)propyl)-2H-benzimidazol-2-ylidene)-1-propenyl)-1-ethyl-, diperchlorate

Registry Numbers

CAS Registry Number

  • 67800-90-2

System Generated Number

  • 0067800902

Molecular Formulas

Molecular Formula

  • C34-H43-Cl-N4-O.2Cl-O4

Molecular Formula Fragments

  • C34-H43-Cl-N4-O
  • Cl-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C34H43ClN4O.2ClHO4/c1-6-36-31-25-27(35)20-22-29(31)38(23-14-24-39(8-3,9-4)10-5)32(36)17-13-18-33-37(7-2)30-21-19-26-15-11-12-16-28(26)34(30)40-33;2*2-1(3,4)5/h11-13,15-22,25H,6-10,14,23-24H2,1-5H3;2*(H,2,3,4,5)/q+2;;/p-2/b18-13+,32-17-;;

InChIKey

BQCFAMNITPBJLY-HRAZVBIYSA-L

Smiles

c12c(ccc3c2[o+]c(\C=C\C=C2/N(CCC[N+](CC)(CC)CC)c4ccc(Cl)cc4N2CC)n3CC)cccc1.Cl(=O)([O-])(=O)=O.Cl(=O)([O-])(=O)=O