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Substance Name: Docosanoic acid , compound with propane-1,3-bis(ylammonium) acetate icosanoate (1:1)
RN: 64601-16-7
InChIKey: UROBRKSPJAZWHW-UHFFFAOYSA-N

Molecular Formula

  • C22-H44-O2.C20-H40-O2.C3-H10-N2.C2-H4-O2

Molecular Weight

  • 787.2992
 
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Names and Synonyms

Synonym

  • EINECS 264-962-5

Systematic Name

  • Docosanoic acid , compound with propane-1,3-bis(ylammonium) acetate icosanoate (1:1)

Registry Numbers

CAS Registry Number

  • 64601-16-7

System Generated Number

  • 0064601167

Molecular Formulas

Molecular Formula

  • C22-H44-O2.C20-H40-O2.C3-H10-N2.C2-H4-O2

Molecular Formula Fragments

  • C2-H4-O2
  • C20-H40-O2
  • C22-H44-O2
  • C3-H10-N2
  • COMPONENT

Structure Descriptors

InChI

1S/C22H44O2.C20H40O2.C3H10N2.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22;4-2-1-3-5;1-2(3)4/h2-21H2,1H3,(H,23,24);2-19H2,1H3,(H,21,22);1-5H2;1H3,(H,3,4)

InChIKey

UROBRKSPJAZWHW-UHFFFAOYSA-N

Smiles

CCCCCCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCCCC(=O)[O-].CC(=O)[O-].C(C[NH3+])C[NH3+]