Compound Identification
SMILES
[Na+].OC(CCC([O-])=O)CC1=CC=CC=C1
InChIKey
InChIKey=DAGXYCOUBSMXQK-UHFFFAOYSA-M
Formula
C11H13NaO3
Mass
216.212
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Organic acids and derivatives
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Hydroxy acids and derivatives
Subclass
Medium-chain hydroxy acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Medium-chain hydroxy acids and derivatives
Alternative Parents
Medium-chain fatty acids Hydroxy fatty acids Benzene and substituted derivatives Secondary alcohols Carboxylic acid salts Monocarboxylic acids and derivatives Carboxylic acids Organic zwitterions Organic sodium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Medium-chain hydroxy acid - Medium-chain fatty acid - Hydroxy fatty acid - Monocyclic benzene moiety - Benzenoid - Fatty acyl - Fatty acid - Carboxylic acid salt - Secondary alcohol - Organic alkali metal salt - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic zwitterion - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Alcohol - Carbonyl group - Organic oxygen compound - Organic sodium salt - Organic salt - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as medium-chain hydroxy acids and derivatives. These are hydroxy acids with a 6 to 12 carbon atoms long side chain.
External Descriptors
Not available