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Substance Name: 9,12-Octadecadienoic acid (9Z,12Z)-, dimer, reaction products with piperazine and (5R)-3,3,5-trimethylcyclohexanone
RN: 72480-13-8
InChIKey: PGGXTLDIAWACGY-GPOQLCFYSA-N

Classification Code

  • TSCA UVCB

Molecular Formula

  • C18-H32-O2.C9-H16-O.C4-H10-N2

Molecular Weight

  • 787.259
 
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Names and Synonyms

  • 9,12-Octadecadienoic acid (9Z,12Z)-, dimer, reaction products with piperazine and (5R)-3,3,5-trimethylcyclohexanone

Registry Numbers

CAS Registry Number

  • 72480-13-8

System Generated Number

  • 0072480138

Molecular Formulas

Molecular Formula

  • C18-H32-O2.C9-H16-O.C4-H10-N2

Molecular Formula Fragments

  • C18-H32-O2
  • C4-H10-N2
  • C9-H16-O
  • COMPONENT

Structure Descriptors

InChI

1S/2C18H32O2.C9H16O.C4H10N2/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-7-4-8(10)6-9(2,3)5-7;1-2-6-4-3-5-1/h2*6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20);7H,4-6H2,1-3H3;5-6H,1-4H2/b2*7-6-,10-9-;;/t;;7-;/m..0./s1

InChIKey

PGGXTLDIAWACGY-GPOQLCFYSA-N

Smiles

CCCCC/C=C\C/C=C\CCCCCCCC(=O)O.CCCCC/C=C\C/C=C\CCCCCCCC(=O)O.C[C@@H]1CC(CC(=O)C1)(C)C.C1NCCNC1