Compound Identification
SMILES
[Na+].CC1=CC(C)=C(OC[C@@H](O)C[C@@H](O)CC([O-])=O)C(CCCOC2=CC=C(F)C=C2)=C1
InChIKey
InChIKey=HIWCAJLREQLKJG-FDOHDBATSA-M
Formula
C23H28FNaO6
Mass
442.459
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
m-Xylenes Phenoxy compounds Phenol ethers Medium-chain fatty acids Alkyl aryl ethers Beta hydroxy acids and derivatives Fluorobenzenes Hydroxy fatty acids Aryl fluorides Secondary alcohols Carboxylic acid salts Carboxylic acids Organic metal halides Monocarboxylic acids and derivatives Organofluorides Organic oxides Carbonyl compounds Organic zwitterions Hydrocarbon derivatives Organic sodium salts
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Medium-chain hydroxy acid - Phenoxy compound - Phenol ether - Medium-chain fatty acid - M-xylene - Xylene - Alkyl aryl ether - Hydroxy fatty acid - Halobenzene - Fluorobenzene - Beta-hydroxy acid - Aryl halide - Fatty acid - Fatty acyl - Aryl fluoride - Benzenoid - Monocyclic benzene moiety - Carboxylic acid salt - Secondary alcohol - Organic metal halide - Monocarboxylic acid or derivatives - Organic alkali metal salt - Carboxylic acid derivative - Carboxylic acid - Ether - Organooxygen compound - Organic sodium salt - Organic salt - Alcohol - Organic zwitterion - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organofluoride - 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