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Substance Name: Aconitic acid, (E)-
RN: 4023-65-8
UNII: 7DB37960CW
InChIKey: GTZCVFVGUGFEME-HNQUOIGGSA-N

Molecular Formula

  • C6-H6-O6

Molecular Weight

  • 174.1074
 
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Names and Synonyms

Name of Substance

  • Aconitic acid, (E)-

Synonyms

  • 1-Propene-1,trans-2,3-tricarboxylic acid
  • ACONITIC ACID, TRANS
  • EINECS 223-688-6
  • NSC 43980
  • trans-Aconitate
  • trans-Aconitic acid
  • UNII-7DB37960CW

Systematic Names

  • (E)-1-Propene-1,2,3-tricarboxylic acid
  • 1-Propene-1,2,3-tricarboxylic acid, (1E)-
  • 1-Propene-1,2,3-tricarboxylic acid, (E)- (8CI)(9CI)

Registry Numbers

CAS Registry Number

  • 4023-65-8

FDA UNII

  • 7DB37960CW

System Generated Number

  • 0004023658

Structure Descriptors

InChI

InChI=1S/C6H6O6/c7-4(8)1-3(6(11)12)2-5(9)10/h1H,2H2,(H,7,8)(H,9,10)(H,11,12)/b3-1+

InChIKey

GTZCVFVGUGFEME-HNQUOIGGSA-N

Smiles

OC(=O)C\C(=C/C(=O)O)\C(=O)O