Compound Identification
SMILES
OC(=O)C1=C(Cl)C=CC(SC(Cl)(Cl)Cl)=C1
InChIKey
InChIKey=WJZYPRGDEHKUFJ-UHFFFAOYSA-N
Formula
C8H4Cl4O2S
Mass
305.98
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
-
Level 5
Sulfanylbenzoic acids and derivatives
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Level 6
M-sulfanylbenzoic acids and derivatives
- Level 7 M-sulfanylbenzoic acids
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Level 6
M-sulfanylbenzoic acids and derivatives
-
Level 5
Sulfanylbenzoic acids and derivatives
-
Subclass
Benzoic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Sulfanylbenzoic acids and derivatives - M-sulfanylbenzoic acids and derivatives
Direct Parent
M-sulfanylbenzoic acids
Alternative Parents
2-halobenzoic acids Halobenzoic acids Benzoic acids 1-carboxy-2-haloaromatic compounds Thiophenol ethers Benzoyl derivatives Alkylarylthioethers Chlorobenzenes Aryl chlorides Vinylogous halides Trihalomethanes Sulfenyl compounds Organic oxides Organochlorides Organooxygen compounds Alkyl chlorides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
M-sulfanylbenzoic acid - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 2-halobenzoic acid - Halobenzoic acid - Benzoic acid - Aryl thioether - 1-carboxy-2-haloaromatic compound - Thiophenol ether - Benzoyl - Alkylarylthioether - Chlorobenzene - Halobenzene - Aryl halide - Aryl chloride - Vinylogous halide - Trihalomethane - Carboxylic acid derivative - Carboxylic acid - Sulfenyl compound - Thioether - Organic oxygen compound - Alkyl halide - Alkyl chloride - Hydrocarbon derivative - Halomethane - Organic oxide - Organosulfur compound - Organohalogen compound - Organochloride - Organooxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as m-sulfanylbenzoic acids. These are benzoic acids which bear a sulfanyl group (R-SH) attached to the benzene ring at positions 1 and 3, respectively.
External Descriptors
Not available