Secondary metabolite:Dichloroacetic acid, tridecyl ester



EOCID001688
Summary

sCentInDB Chemical identifier: EOCID001688

Chemical name: Dichloroacetic acid, tridecyl ester

Molecular formula: C15H28Cl2O2

SMILES: CCCCCCCCCCCCCOC(=O)C(Cl)Cl

InChI: InChI=1S/C15H28Cl2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-19-15(18)14(16)17/h14H,2-13H2,1H3

InChIKey: LRIQRZGEIGXXLL-UHFFFAOYSA-N


Chemical classification

Kingdom: Organic compounds

Superclass: Organic acids and derivatives

Class: Carboxylic acids and derivatives

Subclass: Alpha-halocarboxylic acids and derivatives


Synonymous chemical name(s):
tridecyl ester dichloroacetic acid


External chemical identifier(s):
CID:537284, CHEMSPIDER:467950


Chemical structure download

2D:
2D MOL2D MOL22D SDF
3D:3D MOL3D MOL23D SDF3D PDB3D PDBQT
DISCLAIMER

sCentInDB is a comprehensive resource providing detailed information on the essential oils and chemical profiles of Indian medicinal plants. The information included has been manually curated from published research articles and books, with rigorous attention to accuracy and completeness. While every effort has been made to ensure the completeness of the data, we disclaim responsibility for any inaccuracies or omissions present in the original publications from where we have compiled the information. Users are encouraged to critically assess the provided information and exercise discretion in its interpretation and application. This resource aims to support basic research in the field of essential oil chemistry. Please note that the content provided does not necessarily reflect the views or objectives of our employers or funders.