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
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 Phenoxy compounds Phenol ethers Toluenes Alkyl aryl ethers 2,5-disubstituted thiophenes Heteroaromatic 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 - 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