Compound Identification
SMILES
COC1=CC=CC(CN(C(=O)C(C)SC2=C(C=C(C=C2)C(F)(F)F)[N+]([O-])=O)S(C)(=O)=O)=C1OC
InChIKey
InChIKey=YJFYHXCVKIEXGM-UHFFFAOYSA-N
Formula
C20H21F3N2O7S2
Mass
522.51
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Trifluoromethylbenzenes
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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
Dimethoxybenzenes Nitrobenzenes Thiophenol ethers Phenoxy compounds Anisoles Nitroaromatic compounds Alkyl aryl ethers Alkylarylthioethers Organosulfonic acids and derivatives Aminosulfonyl compounds Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Carboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Carbonyl compounds Organic salts Organic zwitterions Organofluorides Alkyl fluorides Organonitrogen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Dimethoxybenzene - O-dimethoxybenzene - Trifluoromethylbenzene - Nitrobenzene - Anisole - Phenol ether - Thiophenol ether - Phenoxy compound - Aryl thioether - Methoxybenzene - Nitroaromatic compound - Alkyl aryl ether - Alkylarylthioether - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Organic nitro compound - C-nitro compound - Carboxylic acid derivative - Ether - Organic 1,3-dipolar compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Thioether - Sulfenyl compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Hydrocarbon derivative - Organohalogen compound - Organic nitrogen compound - Organic oxide - Organosulfur compound - Alkyl fluoride - Organic salt - Carbonyl group - Organic zwitterion - Alkyl halide - Organic oxygen compound - Aromatic homomonocyclic 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