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Substance Name: 2-Cyclohexene-1-octanoic acid, 5(or 6)-carboxy-4-hexyl-, ester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol
RN: 70714-62-4
InChIKey: NREYNLNKZPBFMT-UHFFFAOYSA-N

Molecular Formula

  • Unspecified

Molecular Weight

  • 486.685
 
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Names and Synonyms

Synonym

  • 5(6)-Carboxy-4-hexyl-2-cyclohexene-1-octanoic acid, trimethylolpropane ester

Systematic Name

  • 2-Cyclohexene-1-octanoic acid, 5(or 6)-carboxy-4-hexyl-, ester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol

Registry Numbers

CAS Registry Number

  • 70714-62-4

System Generated Number

  • 0070714624

Structure Descriptors

InChI

1S/C21H36O4.C6H14O3/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;1-2-6(3-7,4-8)5-9/h14-15,17-19H,2-13,16H2,1H3,(H,22,23)(H,24,25);7-9H,2-5H2,1H3

InChIKey

NREYNLNKZPBFMT-UHFFFAOYSA-N

Smiles

CCCCCCC1C=CC(CC1C(=O)O)CCCCCCCC(=O)O.CCC(CO)(CO)CO