Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Phenylpropanoic acids

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Phenylpropanoic acids

Alternative Parents

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

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