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Substance Name: Disodium 4-(2,2-bis(hydroxymethyl)-3-((1-oxooctadeca-9,12,15-trienyl)oxy)propyl) 2-sulphonatosuccinate
RN: 94113-59-4
InChIKey: NNAPJFGRZUSHRW-KYHAOURTSA-L

Molecular Formula

  • C27-H44-O11-S.2Na

Molecular Weight

  • 620.6638
 
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Names and Synonyms

Synonym

  • EINECS 302-593-4

Systematic Name

  • Disodium 4-(2,2-bis(hydroxymethyl)-3-((1-oxooctadeca-9,12,15-trienyl)oxy)propyl) 2-sulphonatosuccinate

Registry Numbers

CAS Registry Number

  • 94113-59-4

System Generated Number

  • 0094113594

Molecular Formulas

Molecular Formula

  • C27-H44-O11-S.2Na

Molecular Formula Fragments

  • C27-H44-O11-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C27H44O11S.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(30)37-21-27(19-28,20-29)22-38-25(31)18-23(26(32)33)39(34,35)36;;/h3-4,6-7,9-10,23,28-29H,2,5,8,11-22H2,1H3,(H,32,33)(H,34,35,36);;/q;2*+1/p-2/b4-3+,7-6+,10-9+;;

InChIKey

NNAPJFGRZUSHRW-KYHAOURTSA-L

Smiles

C(=O)([O-])[C@@H](CC(=O)OCC(COC(CCCCCCC\C=C\C\C=C\C\C=C\CC)=O)(CO)CO)S(=O)(=O)[O-].[Na+].[Na+]