Compound Identification
SMILES
COC1=CC2=C(C(=O)N(COC(=O)C3=C(Cl)C=CC(OCC(O)=O)=C3Cl)S2(=O)=O)C(=C1)C(C)C
InChIKey
InChIKey=RMIJVTQGJDXSEB-UHFFFAOYSA-N
Formula
C21H19Cl2NO9S
Mass
532.34
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
2-halobenzoic acids and derivatives Benzoic acid esters Cumenes Benzothiazoles Phenoxy compounds Anisoles Dichlorobenzenes Benzoyl derivatives Alkyl aryl ethers Aryl chlorides Vinylogous halides Organosulfonic acids and derivatives Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Organochlorides Organonitrogen compounds Hydrocarbon derivatives Organic oxides Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenoxyacetate - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoate ester - Cumene - 1,2-benzothiazole - Benzoic acid or derivatives - 1,3-dichlorobenzene - Benzoyl - Phenoxy compound - Phenol ether - Anisole - Chlorobenzene - Alkyl aryl ether - Halobenzene - Aryl chloride - Aryl halide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Vinylogous halide - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Ether - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organochloride - Organic oxide - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic 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