Compound Identification
SMILES
[Na+].NCC1CCC(CC1)C(=O)OC1=C(C=C(O)C=C1)C([O-])=O
InChIKey
InChIKey=PLHRUOUDQKWKFL-UHFFFAOYSA-M
Formula
C15H18NNaO5
Mass
315.301
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
Acylsalicylic acids and derivatives
- Level 8 Acylsalicylic acids
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Level 7
Acylsalicylic acids and derivatives
-
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 - Acylsalicylic acids and derivatives
Direct Parent
Acylsalicylic acids
Alternative Parents
Phenol esters Benzoic acids Phenoxy compounds Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids Amino acids Carboxylic acid esters Carboxylic acid salts Monocarboxylic acids and derivatives Carboxylic acids Hydrocarbon derivatives Carbonyl compounds Monoalkylamines Organic oxides Organic sodium salts Organic zwitterions
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Acylsalicylic acid - Phenol ester - Benzoic acid - Phenoxy compound - Benzoyl - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Amino acid or derivatives - Carboxylic acid ester - Carboxylic acid salt - Amino acid - Organic alkali metal salt - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Primary aliphatic amine - Organic nitrogen compound - Amine - Primary amine - Carbonyl group - Organic oxygen compound - Organic salt - Organic sodium salt - Organic zwitterion - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as acylsalicylic acids. These are o-acylated derivatives of salicylic acid.
External Descriptors
Not available