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Substance Name: Dioleoylisopropyl dimonium methosulfate
RN: 112065-30-2
UNII: YOI7EU4P4G
InChIKey: CECUQQKWMXGFQV-FMDBRRIVSA-M

Molecular Formula

  • C44-H84-N-O4.C-H3-O4-S

Molecular Weight

  • 802.2473
 
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Names and Synonyms

Name of Substance

  • Dioleoylisopropyl dimonium methosulfate

Synonyms

  • 1-Propanaminium, 2-hydroxy-N-(2-hydroxypropyl)-N,N-dimethyl-, diesters with vegetable oil fatty acids, me sulfates (salts)
  • 1-Propanaminium, N,N-dimethyl-2-((1-oxo-9-octadecenyl)oxy)-N-(2-((1-oxo-9-octadecenyl)oxy)propyl)-, (Z,Z)-, methyl sulfate
  • Dioleoylisopropyl dimonium methosulfate
  • Dioleoylisopropyl dimonium methosulfate [INCI]
  • UNII-YOI7EU4P4G

Registry Numbers

CAS Registry Number

  • 112065-30-2

FDA UNII

  • YOI7EU4P4G

System Generated Number

  • 0112065302

Structure Descriptors

InChI

1S/C44H84NO4.CH4O4S/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-43(46)48-41(3)39-45(5,6)40-42(4)49-44(47)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-2;1-5-6(2,3)4/h21-24,41-42H,7-20,25-40H2,1-6H3;1H3,(H,2,3,4)/q+1;/p-1/b23-21-,24-22-;/t41-,42+;

InChIKey

CECUQQKWMXGFQV-FMDBRRIVSA-M

Smiles

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