Compound Identification
SMILES
CCOC(=O)COC1=C(OC)C=C(\C=C2/SC(=NC3=CC=CC=C3)N(CC3=CC=C(C=C3)C([O-])=O)C2=O)C(Br)=C1
InChIKey
InChIKey=LVIKAKLWBXRNCU-ALIWBALZSA-M
Formula
C29H24BrN2O7S
Mass
624.48
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
Benzoic acids Phenoxy compounds Anisoles Benzoyl derivatives Methoxybenzenes Alkyl aryl ethers Bromobenzenes Aryl bromides Thiazolidines Isothioureas Carboxylic acid esters Carboxylic acid salts Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Organobromides Organonitrogen compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic anions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenoxyacetate - Benzoic acid or derivatives - Benzoic acid - Phenol ether - Phenoxy compound - Anisole - Benzoyl - Methoxybenzene - Halobenzene - Bromobenzene - Alkyl aryl ether - Aryl bromide - Aryl halide - Thiazolidine - Carboxylic acid salt - Isothiourea - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Carbonyl group - Organooxygen compound - Organic oxygen compound - Organonitrogen compound - Organobromide - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organic nitrogen compound - Organic anion - 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