Compound Identification
SMILES
CC(C)(OC1=CC=C(C=C1)C(O)C([13CH3])=O)C(O)=O
InChIKey
InChIKey=DGERQPMUORCJDP-OUBTZVSYSA-N
Formula
C13H16O5
Mass
253.258
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
Phenylpropanes Phenoxy compounds Phenol ethers Alkyl aryl ethers Acyloins Alpha-hydroxy ketones Secondary alcohols Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Aromatic alcohols
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenoxyacetate - Phenylpropane - Phenoxy compound - Phenol ether - Alkyl aryl ether - Acyloin - Alpha-hydroxy ketone - Ketone - Secondary alcohol - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Alcohol - Organic oxygen compound - Carbonyl group - Organic oxide - Aromatic alcohol - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic 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