Compound Identification
SMILES
CS(=O)(=O)C1=CC(OCC(O)=O)=C(NC(=O)CC2=C(F)C=C(Br)C=C2)C=C1
InChIKey
InChIKey=WWHIGAVKGXUUNK-UHFFFAOYSA-N
Formula
C17H15BrFNO6S
Mass
460.27
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Phenoxyacetic acid derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Phenoxyacetic acid derivatives
Alternative Parents
Phenylacetamides Anilides Benzenesulfonyl compounds Phenoxy compounds Phenol ethers N-arylamides Alkyl aryl ethers Bromobenzenes Fluorobenzenes Aryl bromides Aryl fluorides Sulfones Secondary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Hydrocarbon derivatives Carbonyl compounds Organofluorides Organic oxides Organobromides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenoxyacetate - Phenylacetamide - Anilide - Benzenesulfonyl group - Phenol ether - N-arylamide - Phenoxy compound - Fluorobenzene - Alkyl aryl ether - Halobenzene - Bromobenzene - Aryl bromide - Aryl halide - Aryl fluoride - Sulfonyl - Sulfone - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Carbonyl group - Organosulfur compound - Hydrocarbon derivative - Organofluoride - Organic oxide - Organohalogen compound - Organobromide - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenoxyacetic acid derivatives. These are compounds containing an anisole where the methane group is linked to an acetic acid or a derivative.
External Descriptors
Not available