Compound Identification
SMILES
CCOC(=O)C1=NOC(C2CC2)=C1C(=O)C1=C(C=C(C=C1)C(F)(F)F)S(C)(=O)=O
InChIKey
InChIKey=QYZXWMYCMLQDKT-UHFFFAOYSA-N
Formula
C18H16F3NO6S
Mass
431.38
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 Aryl-phenylketones
-
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
Aryl-phenylketones
Alternative Parents
Trifluoromethylbenzenes Benzenesulfonyl compounds Benzoyl derivatives 5-cyclopropylisoxazoles Sulfones Heteroaromatic compounds Carboxylic acid esters Oxacyclic compounds Azacyclic compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aryl-phenylketone - Trifluoromethylbenzene - Benzenesulfonyl group - 5-cyclopropylisoxazole - Cyclopropylisoxazole - Benzoyl - Monocyclic benzene moiety - Benzenoid - Azole - Isoxazole - Sulfone - Sulfonyl - Heteroaromatic compound - Carboxylic acid ester - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Oxacycle - Alkyl fluoride - Organosulfur compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl halide - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as aryl-phenylketones. These are aromatic compounds containing a ketone substituted by one aryl group, and a phenyl group.
External Descriptors
Not available