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Substance Name: Crigee ozonide
RN: 129194-27-0
InChIKey: KYGUWEUFTRFTBP-UHFFFAOYSA-N

Note

  • Can be formed in lungs of animals breathing ozone-containing air.

Molecular Formula

  • C42-H82-N-O11-P

Molecular Weight

  • 808.08
 
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Names and Synonyms

Name of Substance

  • Crigee ozonide

Synonyms

  • 1-Palmitoyl-2-(8-(5-octyl-1,2,4-trioxolan-3-yl)octanoyl)-sn-glycero-3-phosphocholine
  • 4-Hydroxy-N,N,N-trimethyl-7-((8-(5-octyl-1,2,4-trioxolan-3-yl)-1-oxooctyl)oxy)-10-oxo-3,5,9-trioxa-4-phosphapentacosan-1-aminium hydroxide, inner salt, 4-oxide
  • PC-Criegee ozonide

Systematic Name

  • 3,5,9-Trioxa-4-phosphapentacosan-1-aminium, 4-hydroxy-N,N,N-trimethyl-7-((8-(5-octyl-1,2,4-trioxolan-3-yl)-1-oxooctyl)oxy)-10-oxo-, hydroxide, inner salt, 4-oxide

Registry Numbers

CAS Registry Number

  • 129194-27-0

System Generated Number

  • 0129194270

Structure Descriptors

InChI

1S/C42H82NO11P/c1-6-8-10-12-14-15-16-17-18-19-20-22-26-30-39(44)48-36-38(37-50-55(46,47)49-35-34-43(3,4)5)51-40(45)31-27-23-21-25-29-33-42-52-41(53-54-42)32-28-24-13-11-9-7-2/h38,41-42H,6-37H2,1-5H3

InChIKey

KYGUWEUFTRFTBP-UHFFFAOYSA-N

Smiles

C(COP(OC[C@@H](COC(CCCCCCCCCCCCCCC)=O)OC(CCCCCCC[C@@H]1OO[C@@H](O1)CCCCCCCC)=O)([O-])=O)[N+](C)(C)C