Compound Identification
SMILES
CC(C)C1=CC=C(SC2=C(CC([O-])=O)C=CC(F)=C2)C=C1
InChIKey
InChIKey=UCCBKHXVPJAIEI-UHFFFAOYSA-M
Formula
C17H16FO2S
Mass
303.37
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Phenylacetic acids
- Level 5 4-halophenylacetic acids
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Subclass
Phenylacetic acids
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Phenylacetic acids
Intermediate Tree Nodes
Not available
Direct Parent
4-halophenylacetic acids
Alternative Parents
Diarylthioethers Phenylpropanes Cumenes Thiophenol ethers Fluorobenzenes Aryl fluorides Carboxylic acid salts Sulfenyl compounds Monocarboxylic acids and derivatives Carboxylic acids Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic anions
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
4-halophenylacetic acid - Diarylthioether - Phenylpropane - Cumene - Aryl thioether - Thiophenol ether - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Carboxylic acid salt - Carboxylic acid derivative - Sulfenyl compound - Thioether - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Organohalogen compound - Organofluoride - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Carbonyl group - Organic anion - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as 4-halophenylacetic acids. These are aromatic compounds containing a phenylacetic acid, which is para-substituted with a halogen atom.
External Descriptors
Not available