Compound Identification
SMILES
CCOC(CC1=C(C)C=C(OC(C(C)S(C)(=O)=O)C2=C(C)N=C(S2)C2=CC=C(C=C2)C(F)(F)F)C=C1)C(=O)OCC
InChIKey
InChIKey=SPVLYSCUDQWRFO-UHFFFAOYSA-N
Formula
C29H34F3NO6S2
Mass
613.71
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
Phenoxy compounds Phenol ethers 2,4,5-trisubstituted thiazoles Toluenes Alkyl aryl ethers Fatty acid esters Sulfones Heteroaromatic compounds Carboxylic acid esters Azacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Hydrocarbon derivatives Carbonyl compounds Organic oxides Alkyl fluorides Organofluorides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Trifluoromethylbenzene - 2,4,5-trisubstituted 1,3-thiazole - Phenoxy compound - Phenol ether - Alkyl aryl ether - Fatty acid ester - Toluene - Fatty acyl - Azole - Heteroaromatic compound - Sulfone - Thiazole - Sulfonyl - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Organosulfur compound - Organohalogen compound - Hydrocarbon derivative - Organofluoride - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Carbonyl group - Organic oxide - Alkyl halide - Alkyl fluoride - Organic oxygen compound - 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