Compound Identification
SMILES
CCCC1=C(OCCCCCC2=C(Cl)C=CC(O)=C2O)C=CC(C(O)=O)=C1O
InChIKey
InChIKey=JCLVUJKFJPYWGP-UHFFFAOYSA-N
Formula
C21H25ClO6
Mass
408.88
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
-
Level 5
Hydroxybenzoic acid derivatives
-
Level 6
Salicylic acid and derivatives
- Level 7 Salicylic acids
-
Level 6
Salicylic acid and derivatives
-
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 Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Chlorobenzenes 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 - 4-halophenol - 3-halophenol - 3-chlorophenol - 4-chlorophenol - Phenol ether - Phenol - Alkyl aryl ether - Chlorobenzene - 1-hydroxy-2-unsubstituted benzenoid - Halobenzene - 1-hydroxy-4-unsubstituted benzenoid - Aryl chloride - Aryl halide - Vinylogous acid - Ether - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Organohalogen 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