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Substance Name: 9-Octadecenoic acid (9Z)-, 1,1',1''-(1,2,3-propanetriyl) ester, sulfated, compds. with diethanolamine
RN: 69278-99-5
InChIKey: LMAQAIKIUAJZKG-PXDFOQPKSA-N

Classification Code

  • TSCA UVCB

Molecular Formula

  • C57-H104-O6.C4-H11-N-O2

Molecular Weight

  • 990.5785
 
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Names and Synonyms

Synonym

  • Glycerol trioleate, sulfated, diethanolamine salt

Systematic Names

  • 9-Octadecenoic acid (9Z)-, 1,1',1''-(1,2,3-propanetriyl) ester, sulfated, compds. with diethanolamine
  • 9-Octadecenoic acid (9Z)-, 1,2,3-propanetriyl ester, sulfated, compds. with diethanolamine

Registry Numbers

CAS Registry Number

  • 69278-99-5

System Generated Number

  • 0069278995

Molecular Formulas

Molecular Formula

  • C57-H104-O6.C4-H11-N-O2

Molecular Formula Fragments

  • C4-H11-N-O2
  • C57-H104-O6
  • COMPONENT

Structure Descriptors

InChI

1S/C57H104O6.C4H11NO2/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2;6-3-1-5-2-4-7/h25-30,54H,4-24,31-53H2,1-3H3;5-7H,1-4H2/b28-25-,29-26-,30-27-;

InChIKey

LMAQAIKIUAJZKG-PXDFOQPKSA-N

Smiles

CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC.OCCNCCO