Compound Identification
SMILES
OC(CN1NC=NC1=S)(CC1=CC=CC=C1Cl)C1(Cl)CC1.CO\N=C(/C(=O)OC)C1=CC=CC=C1CO\N=C(/C)C1=CC(=CC=C1)C(F)(F)F
InChIKey
InChIKey=CKJYKYAQJAFAHY-OZSKZDAWSA-N
Formula
C34H34Cl2F3N5O5S
Mass
752.63
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
Chlorobenzenes Aryl chlorides Triazolines Triazoles Tertiary alcohols Heteroaromatic compounds Methyl esters Chlorohydrins Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides Carbonyl compounds Organonitrogen compounds Organosulfur compounds Alkyl fluorides Alkyl chlorides
Molecular Framework
Not available
Substituents
Trifluoromethylbenzene - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Triazoline - Azole - Tertiary alcohol - 1,2,4-triazole - Methyl ester - Heteroaromatic compound - Chlorohydrin - Halohydrin - Carboxylic acid ester - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Alcohol - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Alkyl fluoride - Alkyl chloride - 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