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Substance Name: Octadecanoic acid, 2-(ethyl(2-((1-oxooctadecyl)amino)ethyl)amino)ethyl ester, ethyl sulfate (1:1)
RN: 67952-48-1
InChIKey: IVOWPGOAEHSEBW-UHFFFAOYSA-N

Molecular Formula

  • C42-H84-N2-O3.C2-H6-O4-S

Molecular Weight

  • 791.268
 
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Names and Synonyms

Synonyms

  • 2-(Ethyl(2-((1-oxostearyl)amino)ethyl)amino)ethyl stearate mono(ethyl sulfate)
  • EINECS 267-901-0
  • Ethyl-2-stearamidoethyl-2-stearoyloxyethylammonium ethosulfate

Systematic Names

  • 2-(Ethyl(2-(stearoylamino)ethyl)amino)ethyl stearate mono(ethyl sulphate)
  • Octadecanoic acid, 2-(ethyl(2-((1-oxooctadecyl)amino)ethyl)amino)ethyl ester, ethyl sulfate (1:1)
  • Octadecanoic acid, 2-(ethyl(2-((1-oxooctadecyl)amino)ethyl)amino)ethyl ester, mono(ethyl sulfate)

Registry Numbers

CAS Registry Number

  • 67952-48-1

System Generated Number

  • 0067952481

Molecular Formulas

Molecular Formula

  • C42-H84-N2-O3.C2-H6-O4-S

Molecular Formula Fragments

  • C2-H6-O4-S
  • C42-H84-N2-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C42H84N2O3.C2H6O4S/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-41(45)43-37-38-44(6-3)39-40-47-42(46)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2;1-2-6-7(3,4)5/h4-40H2,1-3H3,(H,43,45);2H2,1H3,(H,3,4,5)

InChIKey

IVOWPGOAEHSEBW-UHFFFAOYSA-N

Smiles

CCCCCCCCCCCCCCCCCC(=O)OCC[N@@](CC)CCNC(=O)CCCCCCCCCCCCCCCCC.S(OCC)(=O)(=O)O