Compound Identification
SMILES
COC1=CC=C(C=C1)C1=[N+](C(SCC(=O)NN=CC2=CC=CC=C2OCC([O-])=O)=NN1)C1=CC=CC=C1
InChIKey
InChIKey=VPHSWVVNDNHUNW-UHFFFAOYSA-N
Formula
C26H23N5O5S
Mass
517.56
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
Phenyl-1,2,4-triazoles Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Alkylarylthioethers Heteroaromatic compounds Carboxylic acid salts Sulfenyl compounds Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic salts Organic zwitterions Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenoxyacetate - Phenyltriazole - Phenyl-1,2,4-triazole - Phenoxy compound - Aryl thioether - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Alkylarylthioether - Azole - Triazole - 1,2,4-triazole - Heteroaromatic compound - Carboxylic acid salt - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Thioether - Sulfenyl compound - Organonitrogen compound - Organic zwitterion - Carbonyl group - Organooxygen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organic salt - Aromatic heteromonocyclic 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