Compound Identification
SMILES
ClC1=CC=C(C=C1)C(=O)N1CCCCC(SC2=NC3=C(C(=CS3)C3=CC=CC=C3)C(=O)N2C2=CC=CC=C2)C1=O
InChIKey
InChIKey=QXNIQGZPAORXPN-UHFFFAOYSA-N
Formula
C31H24ClN3O3S2
Mass
586.12
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
Thienopyrimidines Benzoyl derivatives Caprolactams Alkylarylthioethers Pyrimidones Azepanes Chlorobenzenes Aryl chlorides N-substituted carboxylic acid imides Thiophenes Dicarboximides Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Carbonyl compounds Organic oxides Organochlorides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-halobenzoic acid or derivatives - Thienopyrimidine - Aryl thioether - Caprolactam - Benzoyl - Halobenzene - Pyrimidone - Chlorobenzene - Alkylarylthioether - Azepane - Aryl halide - Aryl chloride - Carboxylic acid imide, n-substituted - Pyrimidine - Thiophene - Dicarboximide - Carboxylic acid imide - Heteroaromatic compound - Lactam - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Sulfenyl compound - Thioether - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Organochloride - 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