Compound Identification
SMILES
Cl.COC1=C(C=CC(C=NC2=CC(O)=C(C=C2)C(O)=O)=C1)N(CCCl)CCCl
InChIKey
InChIKey=VMPQAFUSTPADGA-UHFFFAOYSA-N
Formula
C19H21Cl3N2O4
Mass
447.74
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
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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
Benzoic acids Aminophenyl ethers Methoxyanilines Anisoles Benzoyl derivatives Dialkylarylamines Methoxybenzenes Nitrogen mustard compounds Phenoxy compounds Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Amino acids Shiff bases Propargyl-type 1,3-dipolar organic compounds Carboxylic acids Hydrocarbon derivatives Hydrochlorides Alkyl chlorides Organic oxides Organochlorides Organopnictogen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Salicylic acid - Benzoic acid - Methoxyaniline - Aminophenyl ether - Phenoxy compound - Anisole - Benzoyl - Nitrogen mustard - Phenol ether - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Methoxybenzene - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Vinylogous acid - Amino acid - Shiff base - Amino acid or derivatives - Tertiary amine - Propargyl-type 1,3-dipolar organic compound - Aldimine - Organic 1,3-dipolar compound - Carboxylic acid derivative - Carboxylic acid - Ether - Organic oxide - Alkyl halide - Imine - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Alkyl chloride - Amine - Hydrocarbon derivative - Hydrochloride - Organic nitrogen compound - Organic oxygen compound - Organopnictogen 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