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Substance Name: Triethyl aconitate
RN: 5349-99-5
UNII: OJ05EBL5VM
InChIKey: IDDWGDKSBYYEPL-CLFYSBASSA-N

Molecular Formula

  • C12-H18-O6

Molecular Weight

  • 258.2682
 
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Names and Synonyms

Name of Substance

  • Triethyl aconitate

Synonyms

  • AI3-11238
  • EINECS 226-318-1
  • Ethyl aconitate
  • UNII-OJ05EBL5VM

Systematic Names

  • 1-Propene-1,2,3-tricarboxylic acid, triethyl ester
  • Triethyl 1-propene-1,2,3-tricarboxylate

Registry Numbers

CAS Registry Number

  • 5349-99-5

FDA UNII

  • OJ05EBL5VM

System Generated Number

  • 0005349995

Structure Descriptors

InChI

1S/C12H18O6/c1-4-16-10(13)7-9(12(15)18-6-3)8-11(14)17-5-2/h7H,4-6,8H2,1-3H3/b9-7-

InChIKey

IDDWGDKSBYYEPL-CLFYSBASSA-N

Smiles

CCOC(=O)C/C(=C/C(=O)OCC)/C(=O)OCC