Compound Identification
SMILES
OC(=O)COC1=C(C2=NNN=C2C=C1)S(O)(=O)=O.CCOC(=O)COC1=C(C2=NNN=C2C=C1)S(O)(=O)=O
InChIKey
InChIKey=PYASIZLALSYBKR-UHFFFAOYSA-N
Formula
C18H18N6O12S2
Mass
574.49
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
Arylsulfonic acids and derivatives Benzotriazoles Phenol ethers Alkyl aryl ethers Triazoles Sulfonyls Organosulfonic acids Heteroaromatic compounds Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds
Molecular Framework
Not available
Substituents
Phenoxyacetate - Arylsulfonic acid or derivatives - Benzotriazole - Phenol ether - Alkyl aryl ether - Azole - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Triazole - 1,2,3-triazole - Carboxylic acid ester - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Carbonyl group - 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