Compound Identification
SMILES
NCC1=C(O)C(=CC(Cl)=C1)C(O)=O
InChIKey
InChIKey=XJIYYPGBGCROHA-UHFFFAOYSA-N
Formula
C8H8ClNO3
Mass
201.61
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
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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
3-halobenzoic acids Halobenzoic acids Benzoic acids Phenylmethylamines Benzylamines Benzoyl derivatives P-chlorophenols Chlorobenzenes Aralkylamines Aryl chlorides Vinylogous acids Amino acids Carboxylic acids Organooxygen compounds Organochlorides Organic oxides Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Salicylic acid - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 3-halobenzoic acid - Halobenzoic acid - Benzoic acid - 4-halophenol - Benzoyl - Phenylmethylamine - 4-chlorophenol - Benzylamine - Phenol - Chlorobenzene - Halobenzene - Aralkylamine - Aryl halide - Aryl chloride - Vinylogous acid - Amino acid - Amino acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Organochloride - Organonitrogen compound - Organic nitrogen compound - Amine - Organooxygen compound - Primary amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Primary aliphatic amine - 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