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Substance Name: Ethyl (Z,Z)-ethyl(methyl)(3-((1-oxo-9-octadecenyl)amino)propyl)(3-((1-oxo-9-octadecenyl)amino)propyl)ammonium sulphate
RN: 94070-90-3
InChIKey: YKBFXZZOAYDPMF-PBAYCENZSA-N

Molecular Formula

  • C45-H88-N3-O2.C2-H5-O4-S

Molecular Weight

  • 828.3327
 
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Names and Synonyms

Synonym

  • EINECS 301-789-7

Systematic Name

  • Ethyl (Z,Z)-ethyl(methyl)(3-((1-oxo-9-octadecenyl)amino)propyl)(3-((1-oxo-9-octadecenyl)amino)propyl)ammonium sulphate

Registry Numbers

CAS Registry Number

  • 94070-90-3

System Generated Number

  • 0094070903

Molecular Formulas

Molecular Formula

  • C45-H88-N3-O2.C2-H5-O4-S

Molecular Formula Fragments

  • C2-H5-O4-S
  • C45-H88-N3-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C47H91N3O2.H2O4S/c1-6-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-46(51)48-42-38-44-50(5,9-4)45(8-3)41-43-49-47(52)40-37-35-33-31-29-27-25-23-21-19-17-15-13-11-7-2;1-5(2,3)4/h22-25,45H,6-21,26-44H2,1-5H3,(H-,48,49,51,52);(H2,1,2,3,4)/b24-22-,25-23-;

InChIKey

YKBFXZZOAYDPMF-PBAYCENZSA-N

Smiles

S(=O)(=O)([O-])O.[N+](C(CCNC(=O)CCCCCCC/C=C\CCCCCCCC)CC)(CCCNC(=O)CCCCCCC/C=C\CCCCCCCC)(CC)C