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Substance Name: (2-Hydroxyethyl)methylbis(2-(oleoyloxy)ethyl)ammonium methyl sulphate
RN: 97338-06-2
InChIKey: LEEPBJHNOBBYOU-YIQDKWKASA-M

Molecular Formula

  • C43-H82-N-O5.C-H3-O4-S

Molecular Weight

  • 804.2195
 
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Names and Synonyms

Synonym

  • EINECS 306-600-1

Systematic Name

  • (2-Hydroxyethyl)methylbis(2-(oleoyloxy)ethyl)ammonium methyl sulphate

Registry Numbers

CAS Registry Number

  • 97338-06-2

System Generated Number

  • 0097338062

Molecular Formulas

Molecular Formula

  • C43-H82-N-O5.C-H3-O4-S

Molecular Formula Fragments

  • C-H3-O4-S
  • C43-H82-N-O5
  • COMPONENT

Structure Descriptors

InChI

1S/C43H82NO5.CH4O4S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-42(46)48-40-37-44(3,36-39-45)38-41-49-43(47)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;1-5-6(2,3)4/h18-21,45H,4-17,22-41H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1/b20-18-,21-19-;

InChIKey

LEEPBJHNOBBYOU-YIQDKWKASA-M

Smiles

[N+](CCOC(=O)CCCCCCC\C=C/CCCCCCCC)(CCOC(CCCCCCC\C=C/CCCCCCCC)=O)(C)CCO.S(=O)(=O)(OC)[O-]