Compound Identification
SMILES
COC1=C(OC)C=C(C=C1)\C(\C=C\C1=CC(=C(Cl)C=C1)C(F)(F)F)=C/C(O)=O
InChIKey
InChIKey=RLSLDJFZNLSANM-HQDYVHDXSA-N
Formula
C20H16ClF3O4
Mass
412.79
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Linear 1,3-diarylpropanoids
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Linear 1,3-diarylpropanoids
Alternative Parents
Cinnamic acids Coumaric acids and derivatives Trifluoromethylbenzenes Dimethoxybenzenes Styrenes Phenoxy compounds Anisoles Medium-chain fatty acids Alkyl aryl ethers Chlorobenzenes Halogenated fatty acids Unsaturated fatty acids Aryl chlorides Carboxylic acids Monocarboxylic acids and derivatives Organofluorides Carbonyl compounds Organic oxides Organochlorides Alkyl fluorides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Linear 1,3-diarylpropanoid - Coumaric acid or derivatives - Cinnamic acid or derivatives - Cinnamic acid - Trifluoromethylbenzene - Dimethoxybenzene - O-dimethoxybenzene - Phenoxy compound - Anisole - Phenol ether - Styrene - Medium-chain fatty acid - Methoxybenzene - Alkyl aryl ether - Halogenated fatty acid - Halobenzene - Chlorobenzene - Unsaturated fatty acid - Aryl halide - Monocyclic benzene moiety - Aryl chloride - Benzenoid - Fatty acid - Fatty acyl - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Ether - Alkyl fluoride - Organic oxygen compound - Carbonyl group - Organofluoride - Organooxygen compound - Hydrocarbon derivative - Organochloride - Organohalogen compound - Alkyl halide - Organic oxide - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as linear 1,3-diarylpropanoids. These are organic compounds with a structure based on a C6-C3-C6 skeleton, where the two benzene rings are not linked together.
External Descriptors
Not available