Compound Identification
SMILES
CN1C(=O)NN=C1SC1=C(C=CC(=C1)C(F)(F)F)C(=O)C1C(=O)CCCC1=O
InChIKey
InChIKey=QBGASYRNLCTDIF-UHFFFAOYSA-N
Formula
C17H14F3N3O4S
Mass
413.37
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic oxygen compounds
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Class
Organooxygen compounds
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Subclass
Carbonyl compounds
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Level 5
Ketones
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Level 6
Aryl ketones
-
Level 7
Phenylketones
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Level 8
Alkyl-phenylketones
- Level 9 Benzoylcyclohexane-1,3-diones
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Level 8
Alkyl-phenylketones
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Level 7
Phenylketones
-
Level 6
Aryl ketones
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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 - Alkyl-phenylketones
Direct Parent
Benzoylcyclohexane-1,3-diones
Alternative Parents
Diarylthioethers Trifluoromethylbenzenes Thiophenol ethers Aryl alkyl ketones Benzoyl derivatives Beta-diketones Vinylogous thioesters Triazoles Heteroaromatic compounds Cyclic ketones Sulfenyl compounds Azacyclic compounds Organofluorides Organonitrogen compounds Alkyl fluorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoylcyclohexane-1,3-dione - Diarylthioether - Trifluoromethylbenzene - Aryl thioether - Benzoyl - Thiophenol ether - Aryl alkyl ketone - 1,3-diketone - Monocyclic benzene moiety - Vinylogous thioester - Benzenoid - 1,3-dicarbonyl compound - Azole - Heteroaromatic compound - 1,2,4-triazole - Cyclic ketone - Thioether - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Organosulfur compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Alkyl fluoride - Alkyl halide - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzoylcyclohexane-1,3-diones. These are alkyl-phenylketones where the alkyl group is a cyclohexane 1,3-dione.
External Descriptors
Not available