Compound Identification
SMILES
CCOC(=O)C1=CC=C(SC(Cl)(Cl)Cl)C=C1
InChIKey
InChIKey=SSJJVTBRVMDXCH-UHFFFAOYSA-N
Formula
C10H9Cl3O2S
Mass
299.59
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Sulfanylbenzoic acids and derivatives
Direct Parent
P-sulfanylbenzoic acids and derivatives
Alternative Parents
Benzoic acid esters Thiophenol ethers Benzoyl derivatives Alkylarylthioethers Trihalomethanes Carboxylic acid esters Sulfenyl compounds Monocarboxylic acids and derivatives Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzoate ester - P-sulfanylbenzoic acid or derivatives - Aryl thioether - Benzoyl - Thiophenol ether - Alkylarylthioether - Trihalomethane - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Thioether - Sulfenyl compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Alkyl halide - Halomethane - Alkyl chloride - Organic oxide - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as p-sulfanylbenzoic acids and derivatives. These are benzoic acids (or derivatives) which bear a sulfanyl group (R-SH) attached to the benzene ring at positions 1 and 4, respectively.
External Descriptors
Not available