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Substance Name: 2-Cyclohexene-1-octanoic acid, 5(or 6)-carboxy-4-hexyl-, sodium salt (1:?)
RN: 68127-35-5
InChIKey: ZNBZNWFTONMVPR-UHFFFAOYSA-M

Molecular Formula

  • C21-H36-O4.x-Na

Molecular Weight

  • 374.493
 
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Names and Synonyms

Synonyms

  • 5(6)-Carboxy-4-hexyl-2-cyclohexene-1-octanoic acid, sodium salt
  • EINECS 268-573-1
  • omega-(5(6)-Carboxy-4-hexyl-2-cyclohexene)octanoate, sodium salt
  • Sodium 5(or 6)-carboxy-4-hexyl-2-cyclohexene-1-octanoate

Systematic Names

  • 2-Cyclohexene-1-octanoic acid, 5(or 6)-carboxy-4-hexyl-, sodium salt
  • 2-Cyclohexene-1-octanoic acid, 5(or 6)-carboxy-4-hexyl-, sodium salt (1:?)
  • Sodium hydrogen 5(or 6)-carboxylato-4-hexylcyclohex-2-ene-1-octanoate

Registry Numbers

CAS Registry Number

  • 68127-35-5

System Generated Number

  • 0068127355

Molecular Formulas

Molecular Formula

  • C21-H36-O4.x-Na

Molecular Formula Fragments

  • C21-H36-O4
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C21H36O4.Na/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;/h14-15,17-19H,2-13,16H2,1H3,(H,22,23)(H,24,25);/q;+1/p-1

InChIKey

ZNBZNWFTONMVPR-UHFFFAOYSA-M

Smiles

C1=C[C@@H](CCCCCC)[C@@H](C(=O)O)C[C@@H]1CCCCCCCC(=O)[O-].[Na+]