Compound Identification
SMILES
[Cl-].COC(=O)COC1=C(CSC([NH3+])=N)C=C(Br)C=C1
InChIKey
InChIKey=GRTPVNFCNQYWQF-UHFFFAOYSA-N
Formula
C11H14BrClN2O3S
Mass
369.66
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
Phenoxy compounds Phenol ethers Alkyl aryl ethers Bromobenzenes Aryl bromides Methyl esters Sulfenyl compounds Carboximidamides Monocarboxylic acids and derivatives Imines Hydrocarbon derivatives Organopnictogen compounds Carbonyl compounds Organic oxides Organobromides Organic chloride salts
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenoxyacetate - Phenoxy compound - Phenol ether - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Ether - Sulfenyl compound - Carboximidamide - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organooxygen compound - Imine - Organosulfur compound - Organic salt - Organic chloride salt - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic 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