Structure Information
Structure

Compound Identification

SMILES

CC1=C(CCC(O)=O)C=CC(OCC2=CC=C(S2)C2=CC=C(C=C2)C(F)(F)F)=C1

InChIKey

InChIKey=YHGYBTYEACFHTO-UHFFFAOYSA-N

Formula

C22H19F3O3S

Mass

420.45

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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 heteromonocyclic compounds

Substituents

3-phenylpropanoic-acid - Trifluoromethylbenzene - Phenoxy compound - Phenol ether - Alkyl aryl ether - 2,5-disubstituted thiophene - Toluene - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Thiophene - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Alkyl halide - Alkyl fluoride - Organic oxygen compound - Carbonyl group - Organohalogen compound - Organofluoride - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteromonocyclic 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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