3,4,5-Trichloro-ε-oxobenzenehexanoic acid

CAS Registry Number®

951891-76-2
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CAS Name

3,4,5-Trichloro-ε-oxobenzenehexanoic acid

Molecular Formula

C12H11Cl3O3

Molecular Mass

309.57

Cite this Page

3,4,5-Trichloro-ε-oxobenzenehexanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=951891-76-2 (retrieved 2024-07-05) (CAS RN: 951891-76-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C12H11Cl3O3/c13-8-5-7(6-9(14)12(8)15)10(16)3-1-2-4-11(17)18/h5-6H,1-4H2,(H,17,18)

InChIKey

InChIKey=NLCIUNDGVLLIJW-UHFFFAOYSA-N

SMILES

C(CCCCC(O)=O)(=O)C1=CC(Cl)=C(Cl)C(Cl)=C1

Canonical SMILES

O=C(O)CCCCC(=O)C1=CC(Cl)=C(Cl)C(Cl)=C1

Other Names for this Substance

  • Benzenehexanoic acid, 3,4,5-trichloro-ε-oxo-
  • 3,4,5-Trichloro-ε-oxobenzenehexanoic acid