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Substance Name: Sodium hydrogen 2-hydroxy-3-sulphonatopropyl 5-carboxylato-4-hexylcyclohex-2-ene-1-octanoate
RN: 53790-47-9
InChIKey: UYXMELNWNNODDO-UHFFFAOYSA-N

Molecular Formula

  • C24-H42-O8-S.Na

Molecular Weight

  • 513.6438
 
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Names and Synonyms

Synonym

  • EINECS 258-781-0

Systematic Names

  • 2-Cyclohexene-1-octanoic acid, 5-carboxy-4-hexyl-, 2-hydroxy-3-sulfopropyl ester, monosodium salt
  • Sodium hydrogen 2-hydroxy-3-sulphonatopropyl 5-carboxylato-4-hexylcyclohex-2-ene-1-octanoate

Registry Numbers

CAS Registry Number

  • 53790-47-9

System Generated Number

  • 0053790479

Molecular Formulas

Molecular Formula

  • C24-H42-O8-S.Na

Molecular Formula Fragments

  • C24-H42-O8-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C24H42O8S.Na/c1-2-3-4-9-12-20-15-14-19(16-22(20)24(27)28)11-8-6-5-7-10-13-23(26)32-17-21(25)18-33(29,30)31;/h14-15,19-22,25H,2-13,16-18H2,1H3,(H,27,28)(H,29,30,31);/q;+1

InChIKey

UYXMELNWNNODDO-UHFFFAOYSA-N

Smiles

CCCCCCC1C=CC(CC1C(=O)O)CCCCCCCC(=O)OCC(CS(=O)(=O)O)O.[Na+]