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Substance Name: 2-Cyclohexene-1-octanoic acid, 5-carboxy-4-hexyl-, compd. with 2-aminoethanol (1:1)
RN: 67939-53-1
InChIKey: WJSMHCRJYTZKHE-UHFFFAOYSA-N

Molecular Formula

  • C21-H36-O4.C2-H7-N-O

Molecular Weight

  • 413.595
 
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Names and Synonyms

Synonyms

  • 5-Carboxy-4-hexyl-2-cyclohexene-1-octanoic acid ethanolamine salt (1:1)
  • 5-Carboxy-4-hexyl-2-cyclohexene-1-octanoic acid, compd. with 2-aminoethanol (1:1)
  • 5-Carboxy-4-hexyl-2-cyclohexene-1-octanoic acid, compound with 2-aminoethanol (1:1)
  • EINECS 267-841-5

Systematic Names

  • 2-Cyclohexene-1-octanoic acid, 5-carboxy-4-hexyl-, compd. with 2-aminoethanol (1:1)
  • 5-Carboxy-4-hexylcyclohex-2-ene-1-octanoic acid, compound with 2-aminoethanol (1:1)

Registry Numbers

CAS Registry Number

  • 67939-53-1

System Generated Number

  • 0067939531

Molecular Formulas

Molecular Formula

  • C21-H36-O4.C2-H7-N-O

Molecular Formula Fragments

  • C2-H7-N-O
  • C21-H36-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C21H36O4.C2H7NO/c1-2-3-4-9-12-18-15-14-17(16-19(18)21(24)25)11-8-6-5-7-10-13-20(22)23;3-1-2-4/h14-15,17-19H,2-13,16H2,1H3,(H,22,23)(H,24,25);4H,1-3H2

InChIKey

WJSMHCRJYTZKHE-UHFFFAOYSA-N

Smiles

C=1[C@@H](C[C@@H]([C@@H](C1)CCCCCC)C(=O)O)CCCCCCCC(=O)O.C(CN)O