Compound Identification
SMILES
CCCC1=C(OCCCCCC2=C(O)C(O)=C(Cl)C(Cl)=C2Cl)C=CC(C(O)=O)=C1O
InChIKey
InChIKey=CZLGVOXCTHIPFI-UHFFFAOYSA-N
Formula
C21H23Cl3O6
Mass
477.76
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
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
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
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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
Hydroxybenzoic acid derivatives - Salicylic acid and derivatives
Direct Parent
Salicylic acids
Alternative Parents
Phenylpropanes 3-chlorocatechols 4-chlorocatechols Benzoic acids Phenoxy compounds Phenol ethers P-chlorophenols O-chlorophenols M-chlorophenols Benzoyl derivatives 1-hydroxy-4-unsubstituted benzenoids Chlorobenzenes Alkyl aryl ethers Aryl chlorides Vinylogous acids Carboxylic acids Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Salicylic acid - 3-chlorocatechol - 4-chlorocatechol - Benzoic acid - Phenylpropane - Chlorocatechol - Phenoxy compound - Benzoyl - Catechol - Phenol ether - 4-chlorophenol - 4-halophenol - 3-halophenol - 2-halophenol - 2-chlorophenol - 3-chlorophenol - 1-hydroxy-4-unsubstituted benzenoid - Alkyl aryl ether - Chlorobenzene - Phenol - Halobenzene - Aryl halide - Aryl chloride - Vinylogous acid - Carboxylic acid - Carboxylic acid derivative - Ether - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organochloride - Organohalogen compound - 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