Compound Identification
SMILES
COC1=CC=C(C=C1)C1(O)OC(=O)C(=C1CC1=C(OCC(O)=O)C=C(OC)C=C1)C1=CC2=NSN=C2C=C1
InChIKey
InChIKey=GPQGTOPKAFDITI-UHFFFAOYSA-N
Formula
C27H22N2O8S
Mass
534.54
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
Benzothiadiazoles Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Dicarboxylic acids and derivatives Butenolides Thiadiazoles Heteroaromatic compounds Enoate esters Lactones Hemiacetals Oxacyclic compounds Azacyclic compounds Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenoxyacetate - 2,1,3-benzothiadiazole - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - 2-furanone - Dicarboxylic acid or derivatives - Heteroaromatic compound - Dihydrofuran - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Thiadiazole - Azole - Lactone - Hemiacetal - Carboxylic acid ester - Carboxylic acid derivative - Oxacycle - Carboxylic acid - Azacycle - Organoheterocyclic compound - Ether - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen 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