Compound Identification
SMILES
Fc1ccc(cc1)-c1csc(NC(=O)c2ccc(Cl)cc2)c1C(=O)OC(=O)c1c(NC(=O)c2ccc(Cl)cc2)scc1-c1ccc(Cl)cc1Cl
InChIKey
InChIKey=KUINMIVFWXNOQD-UHFFFAOYSA-N
Formula
C36H19Cl4FN2O5S2
Mass
784.48
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzoic acids and derivatives
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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
Benzamides Thiophene carboxylic acids and derivatives Benzoyl derivatives Dichlorobenzenes Fluorobenzenes Aryl chlorides Aryl fluorides Vinylogous amides Carboxylic acid anhydrides Heteroaromatic compounds Secondary carboxylic acid amides Organooxygen compounds Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides Organonitrogen compounds Organic anions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-halobenzoic acid or derivatives - Benzamide - 1,3-dichlorobenzene - Benzoyl - Thiophene carboxylic acid or derivatives - Fluorobenzene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Heteroaromatic compound - Vinylogous amide - Carboxylic acid anhydride - Thiophene - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Organoheterocyclic compound - Organic nitrogen compound - Organic oxygen compound - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic anion - Aromatic heteromonocyclic 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