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Substance Name: (E)-2-chloro-3-(dichloromethyl)-4-oxobutenoic acid
RN: 115340-67-5
UNII: 31GT1LW79B
InChIKey: BYYQBAWEAGLGPF-NSCUHMNNSA-N

Note

  • Formed from humus during chlorine treatment.

Classification Code

  • Mutation Data

Molecular Formula

  • C5-H3-Cl3-O3

Molecular Weight

  • 217.4347
 
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Names and Synonyms

Results Name

  • (E)-2-Chloro-3-(dichloromethyl)-4-oxobutenoic acid

Name of Substance

  • 2-Chloro-3-(dichloromethyl)-4-oxobutenoic acid

Synonyms

  • (E)-2-Chloro-3-(dichloromethyl)-4-oxo-butenoic acid
  • (E)-3-Formyl-2,4,4-trichloro-2-butenoic acid
  • CCRIS 3770
  • E-MX
  • HSDB 7634
  • UNII-31GT1LW79B

Systematic Names

  • (E)-2-Chloro-3-(dichloromethyl)-4-oxobutenoic acid
  • 2-Butenoic acid, 3-formyl-2,4,4-trichloro-, (E)-

Registry Numbers

CAS Registry Number

  • 115340-67-5

FDA UNII

  • 31GT1LW79B

System Generated Number

  • 0115340675

Structure Descriptors

InChI

1S/C5H3Cl3O3/c6-3(5(10)11)2(1-9)4(7)8/h1,4H,(H,10,11)/b3-2+

InChIKey

BYYQBAWEAGLGPF-NSCUHMNNSA-N

Smiles

C(=C(\C(=O)O)Cl)(\C(Cl)Cl)C=O