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Substance Name: Octadecanoic acid, 10-(sulfooxy)-, 1,1',1''-(1,2,3-propanetriyl) ester, sodium salt (1:3)
RN: 14356-65-1
InChIKey: VWBPLZUSCZPZRG-UHFFFAOYSA-K

Molecular Formula

  • C57-H110-O18-S3.3Na

Molecular Weight

  • 1245.62
 
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Names and Synonyms

Synonyms

  • 10-Hydroxyoctadecanoic acid, 1,2,3-propanetriyl ester, trisulfate, trisodium salt
  • EINECS 238-323-6

Systematic Names

  • Octadecanoic acid, 10-(sulfooxy)-, 1,1',1''-(1,2,3-propanetriyl) ester, sodium salt (1:3)
  • Octadecanoic acid, 10-(sulfooxy)-, 1,2,3-propanetriyl ester, trisodium salt
  • Tris(10-hydroxyoctadecanoic) acid, triester with trisodium propane-1,2,3-triyl tris(sulphate)

Registry Numbers

CAS Registry Number

  • 14356-65-1

System Generated Number

  • 0014356651

Molecular Formulas

Molecular Formula

  • C57-H110-O18-S3.3Na

Molecular Formula Fragments

  • C57-H110-O18-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C57H110O18S3.3Na/c1-4-7-10-13-22-31-40-51(73-76(61,62)63)43-34-25-16-19-28-37-46-55(58)70-49-54(72-57(60)48-39-30-21-18-27-36-45-53(75-78(67,68)69)42-33-24-15-12-9-6-3)50-71-56(59)47-38-29-20-17-26-35-44-52(74-77(64,65)66)41-32-23-14-11-8-5-2;;;/h51-54H,4-50H2,1-3H3,(H,61,62,63)(H,64,65,66)(H,67,68,69);;;/q;3*+1/p-3

InChIKey

VWBPLZUSCZPZRG-UHFFFAOYSA-K

Smiles

[Na+].[Na+].[Na+].C(C(COC(CCCCCCCC[C@@H](CCCCCCCC)OS(=O)(=O)[O-])=O)OC(CCCCCCCC[C@@H](CCCCCCCC)OS(=O)(=O)[O-])=O)OC(CCCCCCCC[C@@H](CCCCCCCC)OS(=O)(=O)[O-])=O