Compound Identification
SMILES
COC1=CC=C(C=C1)C1(O)OC(=O)C(=C1CC1=CC=C(C=C1)C(F)(F)F)C1=CC2=NSN=C2C=C1
InChIKey
InChIKey=VHCPZIDWUKGFFB-UHFFFAOYSA-N
Formula
C25H17F3N2O4S
Mass
498.48
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
Benzothiadiazoles Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Butenolides Thiadiazoles Heteroaromatic compounds Enoate esters Lactones Hemiacetals Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides Organofluorides Organonitrogen compounds Alkyl fluorides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Trifluoromethylbenzene - 2,1,3-benzothiadiazole - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - 2-furanone - Azole - Thiadiazole - Enoate ester - Dihydrofuran - Heteroaromatic compound - Alpha,beta-unsaturated carboxylic ester - Lactone - Hemiacetal - Carboxylic acid ester - Carboxylic acid derivative - Oxacycle - Azacycle - Ether - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic oxygen compound - Alkyl halide - Alkyl fluoride - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organopnictogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Aromatic heteropolycyclic 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