Compound Identification
SMILES
CCC\C(NO)=C1\C=CC(OCCCSC2=C(Cl)C=C(C=C2)C(C)C(O)=O)=C(CCC)C1=O
InChIKey
InChIKey=MPPWYOFPAIHMCH-DYTRJAOYSA-N
Formula
C25H32ClNO5S
Mass
494.04
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
Thiophenol ethers O-quinomethanes Chlorobenzenes Alkylarylthioethers Aryl chlorides Vinylogous esters Vinylogous amides Sulfenyl compounds N-organohydroxylamines Monocarboxylic acids and derivatives Carboxylic acids Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
2-phenylpropanoic-acid - O-quinomethane - Aryl thioether - Quinomethane - Thiophenol ether - Chlorobenzene - Halobenzene - Alkylarylthioether - Aryl halide - Benzenoid - Monocyclic benzene moiety - Aryl chloride - Vinylogous ester - Vinylogous amide - Cyclic ketone - Ketone - Sulfenyl compound - N-organohydroxylamine - Thioether - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organosulfur compound - Organic oxygen compound - Organic oxide - 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