Compound Identification
SMILES
[Al+3].NC1=C(Cl)C(=CC(Cl)=C1)C([O-])=O.NC1=C(Cl)C(=CC(Cl)=C1)C([O-])=O.NC1=C(Cl)C(=CC(Cl)=C1)C([O-])=O
InChIKey
InChIKey=QJYBQRLDTDYEQU-UHFFFAOYSA-K
Formula
C21H12AlCl6N3O6
Mass
642.02
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Benzoic acids and derivatives
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Level 5
Benzoic acids
- Level 6 Dichlorobenzoic acids
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Level 5
Benzoic acids
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Subclass
Benzoic acids and derivatives
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Class
Benzene and substituted derivatives
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Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Benzoic acids
Direct Parent
Dichlorobenzoic acids
Alternative Parents
2-halobenzoic acids 3-halobenzoic acids Aminobenzoic acids Halobenzoic acids 1-carboxy-2-haloaromatic compounds Aniline and substituted anilines Benzoyl derivatives Dichlorobenzenes Aryl chlorides Vinylogous halides Amino acids Carboxylic acid salts Organic metal halides Hydrocarbon derivatives Organochlorides Primary amines Organooxygen compounds Organic aluminium salts Organic oxides Organic zwitterions
Molecular Framework
Not available
Substituents
2,5-dichlorobenzoic acid - Aminobenzoic acid - 2-halobenzoic acid or derivatives - Aminobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 2-halobenzoic acid - 3-halobenzoic acid - Halobenzoic acid - 1,4-dichlorobenzene - 1-carboxy-2-haloaromatic compound - Aniline or substituted anilines - Benzoyl - Halobenzene - Chlorobenzene - Aryl halide - Aryl chloride - Vinylogous halide - Amino acid - Amino acid or derivatives - Carboxylic acid salt - Organic metal halide - Carboxylic acid - Carboxylic acid derivative - Amine - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Primary amine - Organic zwitterion - Organic salt - Organic aluminium salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as dichlorobenzoic acids. These are benzoic acids having two chlorine atoms attached to the carboxylated benzene ring.
External Descriptors
Not available