Compound Identification
SMILES
CC1=CC(CCCCC(O)=O)=C(C)C(=C1)C(=O)CCC1=C(N=C(S1)C1=CC=C(C=C1)C(F)(F)F)C1CC1
InChIKey
InChIKey=QSYSPVOBIINWGK-UHFFFAOYSA-N
Formula
C29H30F3NO3S
Mass
529.62
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
-
Level 5
Ketones
-
Level 6
Aryl ketones
-
Level 7
Phenylketones
- Level 8 Alkyl-phenylketones
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Level 7
Phenylketones
-
Level 6
Aryl ketones
-
Level 5
Ketones
-
Subclass
Carbonyl compounds
-
Class
Organooxygen compounds
-
Superclass
Organic oxygen compounds
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbonyl compounds
Intermediate Tree Nodes
Ketones - Aryl ketones - Phenylketones
Direct Parent
Alkyl-phenylketones
Alternative Parents
Butyrophenones Trifluoromethylbenzenes p-Xylenes 2,4,5-trisubstituted thiazoles Aryl alkyl ketones Benzoyl derivatives Medium-chain fatty acids Halogenated fatty acids Heterocyclic fatty acids Heteroaromatic compounds Carboxylic acids Monocarboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organic oxides Organofluorides Alkyl fluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Butyrophenone - Trifluoromethylbenzene - 2,4,5-trisubstituted 1,3-thiazole - P-xylene - Xylene - Benzoyl - Aryl alkyl ketone - Medium-chain fatty acid - Halogenated fatty acid - Heterocyclic fatty acid - Monocyclic benzene moiety - Fatty acyl - Fatty acid - Benzenoid - Azole - Heteroaromatic compound - Thiazole - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Azacycle - Carboxylic acid - Carboxylic acid derivative - Organohalogen compound - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organofluoride - Organonitrogen compound - Alkyl halide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
External Descriptors
Not available