Compound Identification
SMILES
COC(=O)C(=C(F)SC1=C(C)C(C)=C(O)C=C1)C(F)(F)F
InChIKey
InChIKey=ZQQCKVDYHXNEOT-UHFFFAOYSA-N
Formula
C13H12F4O3S
Mass
324.29
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Phenols
-
Subclass
Cresols
- Level 5 Ortho cresols
-
Subclass
Cresols
-
Class
Phenols
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenols
Subclass
Cresols
Intermediate Tree Nodes
Not available
Direct Parent
Ortho cresols
Alternative Parents
o-Xylenes Aryl thioethers Meta cresols 1-hydroxy-2-unsubstituted benzenoids Vinylogous thioesters Vinylogous halides Enoate esters Methyl esters Ketene acetals Vinyl fluorides Sulfenyl compounds Fluoroalkenes Monocarboxylic acids and derivatives Hydrocarbon derivatives Alkyl fluorides Carbonyl compounds Organic oxides Organofluorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Aryl thioether - M-cresol - O-cresol - O-xylene - Xylene - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Vinylogous thioester - Methyl ester - Enoate ester - Vinylogous halide - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Ketene acetal or derivatives - Sulfenyl compound - Vinyl halide - Vinyl fluoride - Haloalkene - Fluoroalkene - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxide - Organohalogen compound - Organofluoride - Organic oxygen compound - Alkyl halide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Alkyl fluoride - Organosulfur compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as ortho cresols. These are organic compounds containing an ortho-cresol moiety, which consists of a benzene bearing one hydroxyl group at ring positions 1 and 2, respectively.
External Descriptors
Not available