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Substance Name: Choline octanoate
RN: 71501-52-5
InChIKey: CISGOUDPMXUJNS-UHFFFAOYSA-M

Molecular Formula

  • C8-H15-O2.C5-H14-N-O

Molecular Weight

  • 247.3761
 
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Names and Synonyms

Synonym

  • EINECS 275-580-3

Systematic Name

  • Choline octanoate

Registry Numbers

CAS Registry Number

  • 71501-52-5

System Generated Number

  • 0071501525

Molecular Formulas

Molecular Formula

  • C8-H15-O2.C5-H14-N-O

Molecular Formula Fragments

  • C5-H14-N-O
  • C8-H15-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C8H16O2.C5H14NO/c1-2-3-4-5-6-7-8(9)10;1-6(2,3)4-5-7/h2-7H2,1H3,(H,9,10);7H,4-5H2,1-3H3/q;+1/p-1

InChIKey

CISGOUDPMXUJNS-UHFFFAOYSA-M

Smiles

CCCCCCCC(=O)[O-].C[N+](C)(C)CCO