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Substance Name: 2-Cyclohexene-1-octanoic acid, 5-carboxy-4-hexyl-, compd. with 2,2',2''-nitrilotris(ethanol) (1:2)
RN: 67859-77-2
InChIKey: GRFNJRQHEQBPPC-UHFFFAOYSA-N

Molecular Formula

  • C21-H36-O4.2C6-H15-N-O3

Molecular Weight

  • 650.888
 
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Names and Synonyms

Synonym

  • EINECS 267-425-3

Systematic Names

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

Registry Numbers

CAS Registry Number

  • 67859-77-2

System Generated Number

  • 0067859772

Molecular Formulas

Molecular Formula

  • C21-H36-O4.2C6-H15-N-O3

Molecular Formula Fragments

  • C21-H36-O4
  • C6-H15-N-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C21H36O4.2C6H15NO3/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;2*8-4-1-7(2-5-9)3-6-10/h14-15,17-19H,2-13,16H2,1H3,(H,22,23)(H,24,25);2*8-10H,1-6H2

InChIKey

GRFNJRQHEQBPPC-UHFFFAOYSA-N

Smiles

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