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Substance Name: Trisodium sulfonated glyceryl triricinoleate
RN: 67919-46-4
InChIKey: XREXPQGDOPQPAH-YKMGDXIHSA-K

Molecular Formula

  • C57-H104-O18-S3.3Na

Molecular Weight

  • 1239.57
 
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Names and Synonyms

Results Name

  • Trisodium sulfonated glyceryl triricinoleate

Synonyms

  • 12-Hydroxy-9-octadecenoic acid, glycerol ester(3:1), tris(sodium sulfate)
  • EINECS 267-752-1
  • Trisodium sulfonated glyceryl triricinoleate

Systematic Names

  • 9-Octadecenoic acid, 12-(sulfooxy)-, 1,1',1''-(1,2,3-propanetriyl) ester, sodium salt (1:3), (9Z,9'Z,9''Z,12R,12'R,12''R)-
  • 9-Octadecenoic acid, 12-(sulfooxy)-, 1,1',1''-(1,2,3-propanetriyl) ester, trisodium salt, (9Z,9'Z,9''Z,12R,12'R,12''R)-
  • Trisodium propane-1,2,3-triyl tris(12-(sulphonatooxy)octadec-9-enoate), stereoisomer

Registry Numbers

CAS Registry Number

  • 67919-46-4

System Generated Number

  • 0067919464

Molecular Formulas

Molecular Formula

  • C57-H104-O18-S3.3Na

Molecular Formula Fragments

  • C57-H104-O18-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C57H104O18S3.3Na/c1-4-7-10-31-40-51(73-76(61,62)63)43-34-25-19-13-16-22-28-37-46-55(58)70-49-54(72-57(60)48-39-30-24-18-15-21-27-36-45-53(75-78(67,68)69)42-33-12-9-6-3)50-71-56(59)47-38-29-23-17-14-20-26-35-44-52(74-77(64,65)66)41-32-11-8-5-2;;;/h25-27,34-36,51-54H,4-24,28-33,37-50H2,1-3H3,(H,61,62,63)(H,64,65,66)(H,67,68,69);;;/q;3*+1/p-3/b34-25+,35-26+,36-27+;;;

InChIKey

XREXPQGDOPQPAH-YKMGDXIHSA-K

Smiles

[Na+].[Na+].[Na+].C(CCCCCCC\C=C\C[C@@H](OS([O-])(=O)=O)CCCCCC)(=O)OCC(COC(CCCCCCC\C=C\C[C@@H](CCCCCC)OS(=O)(=O)[O-])=O)OC(CCCCCCC\C=C\C[C@@H](CCCCCC)OS(=O)(=O)[O-])=O