Compound Identification
SMILES
CC(C)(CCC(O)=O)OC1=C(Cl)C(Cl)=C(CCC(=O)C2=CC=C(S2)C2=CC=C(C=C2)C(F)(F)F)C=C1
InChIKey
InChIKey=FOHFOVORDKGPAF-UHFFFAOYSA-N
Formula
C26H23Cl2F3O4S
Mass
559.42
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
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Class
Diarylheptanoids
- Subclass Linear diarylheptanoids
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Class
Diarylheptanoids
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Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Diarylheptanoids
Subclass
Linear diarylheptanoids
Intermediate Tree Nodes
Not available
Direct Parent
Linear diarylheptanoids
Alternative Parents
Trifluoromethylbenzenes Phenoxy compounds Phenol ethers Aryl alkyl ketones Dichlorobenzenes 2,5-disubstituted thiophenes Alkyl aryl ethers Aryl chlorides Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Hydrocarbon derivatives Organic oxides Alkyl fluorides Organochlorides Organofluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Linear 1,7-diphenylheptane skeleton - Trifluoromethylbenzene - Phenoxy compound - 1,2-dichlorobenzene - Phenol ether - Aryl ketone - Aryl alkyl ketone - Alkyl aryl ether - Halobenzene - Chlorobenzene - 2,5-disubstituted thiophene - Aryl halide - Aryl chloride - Benzenoid - Monocyclic benzene moiety - Thiophene - Heteroaromatic compound - Ketone - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organooxygen compound - Alkyl halide - Alkyl fluoride - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Organofluoride - Organochloride - Organohalogen compound - Organic oxide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as linear diarylheptanoids. These are diarylheptanoids with an open heptane chain. The two aromatic rings are linked only by the heptane chain.
External Descriptors
Not available