Compound Identification
SMILES
CCCC1=C(OCCCCCC2=C(O)C(O)=CC(Cl)=C2Cl)C=CC(C(O)=O)=C1O
InChIKey
InChIKey=ZMKNMIGJZQZTDL-UHFFFAOYSA-N
Formula
C21H24Cl2O6
Mass
443.32
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
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Level 5
Hydroxybenzoic acid derivatives
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Level 6
Salicylic acid and derivatives
- Level 7 Salicylic acids
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Level 6
Salicylic acid and derivatives
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Level 5
Hydroxybenzoic acid 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
Hydroxybenzoic acid derivatives - Salicylic acid and derivatives
Direct Parent
Salicylic acids
Alternative Parents
Phenylpropanes 4-chlorocatechols Benzoic acids Phenoxy compounds Phenol ethers P-chlorophenols M-chlorophenols Dichlorobenzenes Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Aryl chlorides Vinylogous acids Carboxylic acids Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Salicylic acid - 4-chlorocatechol - Benzoic acid - Chlorocatechol - Phenylpropane - Phenoxy compound - Benzoyl - Catechol - 1,2-dichlorobenzene - 4-halophenol - 3-halophenol - 3-chlorophenol - 4-chlorophenol - Phenol ether - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - Halobenzene - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Chlorobenzene - Aryl halide - Aryl chloride - Vinylogous acid - Ether - Carboxylic acid - Carboxylic acid derivative - Organic oxide - Organohalogen compound - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organochloride - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as salicylic acids. These are ortho-hydroxylated benzoic acids.
External Descriptors
Not available