Compound Identification
SMILES
CC(CSC1=CC(C)=C(CCC(O)=O)C=C1)C1=C(C)C=C(S1)C1=CC=C(C=C1)C(F)(F)F
InChIKey
InChIKey=DWXQWIKSDBYQEO-UHFFFAOYSA-N
Formula
C25H25F3O2S2
Mass
478.59
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
Trifluoromethylbenzenes Thiophenol ethers 2,3,5-trisubstituted thiophenes Toluenes Alkylarylthioethers Heteroaromatic compounds Sulfenyl compounds Monocarboxylic acids and derivatives Carboxylic acids Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
3-phenylpropanoic-acid - Trifluoromethylbenzene - Aryl thioether - 2,3,5-trisubstituted thiophene - Thiophenol ether - Toluene - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - Thiophene - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Thioether - Organoheterocyclic compound - Sulfenyl compound - Organooxygen compound - Organofluoride - Organohalogen compound - Alkyl halide - Organosulfur compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Alkyl fluoride - 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