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Substance Name: (Z)-(1)-(4-Oxido-9-oxo-7-(palmitoylmethyl)-3,5,8-trioxa-4-phosphahexacos-17-enyl)trimethylammonium 4-oxide
RN: 26662-91-9
InChIKey: WTJKGGKOPKCXLL-MRCUWXFGSA-N

Molecular Formula

  • C42-H82-N-O8-P

Molecular Weight

  • 760.0828
 
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Names and Synonyms

Synonym

  • EINECS 247-893-5

Systematic Names

  • (Z)-(1)-(4-Oxido-9-oxo-7-(palmitoylmethyl)-3,5,8-trioxa-4-phosphahexacos-17-enyl)trimethylammonium 4-oxide
  • Choline, hydroxide, dihydrogen phosphate, inner salt, ester with 1-palmito-2-olein, DL-

Registry Numbers

CAS Registry Number

  • 26662-91-9

System Generated Number

  • 0026662919

Structure Descriptors

InChI

1S/C42H82NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h20-21,40H,6-19,22-39H2,1-5H3/b21-20-

InChIKey

WTJKGGKOPKCXLL-MRCUWXFGSA-N

Smiles

CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCCCC