Compound Identification
SMILES
[Na+].[Na+].O[C@@H](CC1=CC=CC=C1)C([O-])=O.O[C@H](CC1=CC=CC=C1)C([O-])=O
InChIKey
InChIKey=GDFZYYQZBFWRJN-LECXEVRZSA-L
Formula
C18H18Na2O6
Mass
376.316
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
- Class Phenylpropanoic acids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Phenylpropanoic acids
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpropanoic acids
Alternative Parents
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
Not available
Substituents
3-phenylpropanoic-acid - Monocyclic benzene moiety - Benzenoid - Carboxylic acid salt - Secondary alcohol - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic alkali metal salt - Hydrocarbon derivative - Organooxygen compound - Organic oxygen compound - Organic oxide - Alcohol - Carbonyl group - Organic zwitterion - Organic sodium salt - Organic salt - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpropanoic acids. These are compounds with a structure containing a benzene ring conjugated to a propanoic acid.
External Descriptors
Not available