Compound Identification
SMILES
CCOC(=O)C1=C(CC)C=C(\C=C\C(C2=CC(Cl)=C(I)C(Cl)=C2)C(F)(F)F)C=C1
InChIKey
InChIKey=XZOSCBKPPHCHRV-SOFGYWHQSA-N
Formula
C21H18Cl2F3IO2
Mass
557.17
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
Benzoic acid esters Styrenes Dichlorobenzenes Benzoyl derivatives Iodobenzenes Aryl iodides Aryl chlorides Carboxylic acid esters Monocarboxylic acids and derivatives Organooxygen compounds Organoiodides Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Linear 1,3-diarylpropanoid - Benzoate ester - Benzoic acid or derivatives - Styrene - 1,3-dichlorobenzene - Benzoyl - Iodobenzene - Halobenzene - Chlorobenzene - Benzenoid - Monocyclic benzene moiety - Aryl iodide - Aryl halide - Aryl chloride - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organoiodide - Organofluoride - Organochloride - Organohalogen compound - Alkyl halide - Alkyl fluoride - 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