Compound Identification
SMILES
CC1CCC(=O)C(C)C1\C=C\C(\C)=C/CC1=C(O)C(C=O)=C(C)C(Cl)=C1OCCC(O)=O
InChIKey
InChIKey=ACABKXJUZSABCI-ONVPLPETSA-N
Formula
C25H31ClO6
Mass
462.97
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass 3-phenoxypropionic acids
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
3-phenoxypropionic acids
Intermediate Tree Nodes
Not available
Direct Parent
3-phenoxypropionic acids
Alternative Parents
Hydroxybenzaldehydes Benzoyl derivatives Meta cresols P-chlorophenols Phenol ethers Phenoxy compounds Alkyl aryl ethers Chlorobenzenes Toluenes Aryl chlorides Vinylogous acids Cyclic ketones Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Organochlorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
3-phenoxypropionic acid - Hydroxybenzaldehyde - Phenoxy compound - 4-halophenol - M-cresol - Benzoyl - Benzaldehyde - 4-chlorophenol - Phenol ether - Alkyl aryl ether - Halobenzene - Chlorobenzene - Aryl-aldehyde - Phenol - Toluene - Aryl chloride - Aryl halide - Vinylogous acid - Cyclic ketone - Ketone - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Aldehyde - Carbonyl group - Organochloride - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organohalogen compound - Organic oxide - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as 3-phenoxypropionic acids. These are aromatic compounds containing a 3-phenoxypropionic acid.
External Descriptors
Not available