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Substance Name: 9-Octadecenoic acid (9Z)-, 1,1'-(1-(((1-oxo-10-(sulfooxy)octadecyl)oxy)methyl)-1,2-ethanediyl) ester, sodium salt (1:1)
RN: 67815-90-1
InChIKey: LWSMFZFCVANDKP-QGZHYIRJSA-L

Molecular Formula

  • C57-H106-O10-S.Na

Molecular Weight

  • 1028.49
 
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Names and Synonyms

Synonym

  • EINECS 267-202-0

Systematic Names

  • 9-Octadecenoic acid (9Z)-, 1,1'-(1-(((1-oxo-10-(sulfooxy)octadecyl)oxy)methyl)-1,2-ethanediyl) ester, sodium salt (1:1)
  • 9-Octadecenoic acid (9Z)-, 1-(((1-oxo-10-(sulfooxy)octadecyl)oxy)methyl)-1,2-ethanediyl ester, sodium salt
  • Sodium 1-(((1-oxo-10-(sulphonatooxy)octadecyl)oxy)methyl)-1,2-ethanediyl dioleate

Registry Numbers

CAS Registry Number

  • 67815-90-1

System Generated Number

  • 0067815901

Molecular Formulas

Molecular Formula

  • C57-H106-O10-S.Na

Molecular Formula Fragments

  • C57-H106-O10-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C57H107O10S.2Na/c1-4-7-10-13-16-18-20-22-24-26-28-30-32-39-44-49-56(59)67(51-50-53(57(60)61)45-40-35-31-29-27-25-23-21-19-17-14-11-8-5-2)52-65-55(58)48-43-38-34-33-37-42-47-54(66-68(62,63)64)46-41-36-15-12-9-6-3;;/h22-25,53-54H,4-21,26-52H2,1-3H3,(H,60,61)(H,62,63,64);;/q;2*+1/p-2/b24-22-,25-23+;;

InChIKey

LWSMFZFCVANDKP-QGZHYIRJSA-L

Smiles

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