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Substance Name: Disodium (Z,Z)-4-(2,2-bis(hydroxymethyl)-3-((1-oxooctadeca-9,12-dienyl)oxy)propyl) 2-sulphonatosuccinate
RN: 93892-63-8
InChIKey: UACQNJUHRNFUMA-JFHYDWJLSA-L

Molecular Formula

  • C27-H46-O11-S.2Na

Molecular Weight

  • 622.6796
 
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Names and Synonyms

Synonym

  • EINECS 299-548-3

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 93892-63-8

System Generated Number

  • 0093892638

Molecular Formulas

Molecular Formula

  • C27-H46-O11-S.2Na

Molecular Formula Fragments

  • C27-H46-O11-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C27H46O11S.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;;/h6-7,9-10,23,28-29H,2-5,8,11-22H2,1H3,(H,32,33)(H,34,35,36);;/q;2*+1/p-2/b7-6-,10-9-;;

InChIKey

UACQNJUHRNFUMA-JFHYDWJLSA-L

Smiles

CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC(CO)(CO)COC(=O)CC(C(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]