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Substance Name: 1,2-Ethanediaminium, N1,N2-dimethyl-N1,N1,N2,N2-tetrakis(2-((1-oxo-9-octadecen-1-yl)oxy)propyl)-, methyl sulfate (1:2)
RN: 70773-61-4
InChIKey: MAPPRAUWBFCVJH-DLGIXIOYSA-L

Molecular Formula

  • C88-H166-N2-O8.2C-H3-O4-S

Molecular Weight

  • 1602.4788
 
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Names and Synonyms

Synonyms

  • Ammonium, ethylenebis(methylbis(2-(oleoyloxy)propyl))-, bis(methyl sulfate)
  • EINECS 274-860-2

Systematic Names

  • 1,2-Ethanediaminium, N,N'-dimethyl-N,N,N',N'-tetrakis(2-((1-oxo-9-octadecenyl)oxy)propyl)-, bis(methyl sulfate)
  • 1,2-Ethanediaminium, N1,N2-dimethyl-N1,N1,N2,N2-tetrakis(2-((1-oxo-9-octadecen-1-yl)oxy)propyl)-, methyl sulfate (1:2)
  • 1-Propanaminium, N,N'-1,2-ethanediylbis(N-methyl-2-((1-oxo-9-octadecenyl)oxy)-N-(2-((1-oxo-9-octadecenyl)oxy)propyl)-, bis(methyl sulfate)
  • N,N'-Ethylenebis(N-methyl-2-((1-oxo-9-octadecenyl)oxy)-N-(2-((1-oxo-9-octadecenyl)oxy)propyl)propylammonium) dimethyl disulphate

Registry Numbers

CAS Registry Number

  • 70773-61-4

System Generated Number

  • 0070773614

Molecular Formulas

Molecular Formula

  • C88-H166-N2-O8.2C-H3-O4-S

Molecular Formula Fragments

  • C-H3-O4-S
  • C88-H166-N2-O8
  • COMPONENT

Structure Descriptors

InChI

1S/C88H166N2O8.2CH4O4S/c1-11-15-19-23-27-31-35-39-43-47-51-55-59-63-67-71-85(91)95-81(5)77-89(9,78-82(6)96-86(92)72-68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-2)75-76-90(10,79-83(7)97-87(93)73-69-65-61-57-53-49-45-41-37-33-29-25-21-17-13-3)80-84(8)98-88(94)74-70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-4;2*1-5-6(2,3)4/h39-46,81-84H,11-38,47-80H2,1-10H3;2*1H3,(H,2,3,4)/q+2;;/p-2/b43-39+,44-40+,45-41+,46-42+;;

InChIKey

MAPPRAUWBFCVJH-DLGIXIOYSA-L

Smiles

CCCCCCCC/C=C/CCCCCCCC(=O)OC(C[N+](CC(OC(=O)CCCCCCC/C=C/CCCCCCCC)C)(CC[N+](CC(OC(=O)CCCCCCC/C=C/CCCCCCCC)C)(CC(OC(=O)CCCCCCC/C=C/CCCCCCCC)C)C)C)C.COS(=O)(=O)[O-].COS(=O)(=O)[O-]