Compound Identification
SMILES
[Na+].CCCOC1=CC2=C(C=C1)[C@@H]([C@H]([C@@H]2C1=C(OCC([O-])=O)C=C(OC)C=C1)C(=O)OCC)C1=CC2=C(OCO2)C=C1
InChIKey
InChIKey=XWAPPXMDNDMCTO-PMGSZYTFSA-M
Formula
C31H31NaO9
Mass
570.57
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Phenoxyacetic acid derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Phenoxyacetic acid derivatives
Alternative Parents
Indanes Benzodioxoles Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Dicarboxylic acids and derivatives Carboxylic acid salts Carboxylic acid esters Oxacyclic compounds Acetals Carboxylic acids Organic sodium salts Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenoxyacetate - Indane - Benzodioxole - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Dicarboxylic acid or derivatives - Carboxylic acid salt - Carboxylic acid ester - Carboxylic acid derivative - Organoheterocyclic compound - Organic alkali metal salt - Oxacycle - Ether - Acetal - Carboxylic acid - Organic oxygen compound - Organic oxide - Organooxygen compound - Organic salt - Carbonyl group - Organic sodium salt - Hydrocarbon derivative - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenoxyacetic acid derivatives. These are compounds containing an anisole where the methane group is linked to an acetic acid or a derivative.
External Descriptors
Not available