Compound Identification
SMILES
CC1=CC2=C(SCC(NC(=O)C3=CC(Cl)=C(Cl)C=C3)C2=O)C=C1
InChIKey
InChIKey=FMLLEKBBEOZUAZ-UHFFFAOYSA-N
Formula
C17H13Cl2NO2S
Mass
366.26
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted 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
Halobenzoic acids and derivatives
Direct Parent
4-halobenzoic acids and derivatives
Alternative Parents
Thiochromanes 3-halobenzoic acids and derivatives 1-benzothiopyrans Benzamides Aryl alkyl ketones Dichlorobenzenes Benzoyl derivatives Alkylarylthioethers Vinylogous thioesters Thiopyrans Aryl chlorides Secondary carboxylic acid amides Organic oxides Organochlorides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Thiochromane - 3-halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Benzamide - 1-benzothiopyran - Benzothiopyran - Benzoyl - 1,2-dichlorobenzene - Aryl thioether - Aryl ketone - Aryl alkyl ketone - Alkylarylthioether - Chlorobenzene - Halobenzene - Vinylogous thioester - Thiopyran - Aryl chloride - Aryl halide - Carboxamide group - Secondary carboxylic acid amide - Ketone - Organoheterocyclic compound - Thioether - Carboxylic acid derivative - Organohalogen compound - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 4-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 4-position of the benzene ring.
External Descriptors
Not available