Compound Identification
SMILES
CN1C=C(NC(=O)OCCS(=O)(=O)C2=CC=C(C=C2)C(F)(F)F)C=C1C(O)=O
InChIKey
InChIKey=HCXBRPPRERIDKB-UHFFFAOYSA-N
Formula
C16H15F3N2O6S
Mass
420.36
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Trifluoromethylbenzenes
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Trifluoromethylbenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Trifluoromethylbenzenes
Alternative Parents
Benzenesulfonyl compounds Pyrrole 2-carboxylic acids N-methylpyrroles Sulfones Heteroaromatic compounds Carbamate esters Carboxylic acids Azacyclic compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Trifluoromethylbenzene - Benzenesulfonyl group - Pyrrole-2-carboxylic acid - Pyrrole-2-carboxylic acid or derivatives - N-methylpyrrole - Substituted pyrrole - Pyrrole - Sulfone - Sulfonyl - Carbamic acid ester - Heteroaromatic compound - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Carboxylic acid - Alkyl halide - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Organic oxide - Carbonyl group - Alkyl fluoride - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups.
External Descriptors
Not available