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Substance Name: Ethyl aconitate (mixed esters)
RN: 1321-30-8
UNII: 2R96Y9274S
InChIKey: ANIDMCPGEUWERH-SNAWJCMRSA-N

Molecular Formula

  • C8-H10-O6

Molecular Weight

  • 202.161
 
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Names and Synonyms

Name of Substance

  • Ethyl aconitate (mixed esters)

Synonyms

  • 1-Propene-1,2,3-tricarboxylic acid, ethyl ester
  • 1-Propene-1,2,3-tricarboxylic acid, monoethyl ester
  • Aconitic acid, ethyl ester
  • Ethyl 1-propene-1,2,3-tricarboxylate
  • Ethyl 2-carboxygluconate
  • Ethyl aconitate (mixed esters)
  • FEMA No. 2417
  • Monoethyl 1-propene-1,2,3-tricarboxylate
  • UNII-2R96Y9274S

Systematic Name

  • 1-Propene-1,2,3-tricarboxylic acid, monoethyl ester

Superlist Name

  • Ethyl aconitate

Registry Numbers

CAS Registry Number

  • 1321-30-8

FDA UNII

  • 2R96Y9274S

System Generated Number

  • 0001321308

Structure Descriptors

InChI

InChI=1S/C8H10O6/c1-2-14-7(11)4-5(8(12)13)3-6(9)10/h4H,2-3H2,1H3,(H,9,10)(H,12,13)/b5-4+

InChIKey

ANIDMCPGEUWERH-SNAWJCMRSA-N

Smiles

CCOC(=O)\C=C(/CC(=O)O)\C(=O)O