Compound Identification
SMILES
[O-]C(=O)C(F)(F)F.CC1(C)[C@H]([NH3+])[C@H](CC2=C1C=C(O)C=C2)SC1=CC=CC=N1
InChIKey
InChIKey=SQKRCBDXCJOSGX-KUARMEPBSA-N
Formula
C19H21F3N2O3S
Mass
414.44
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
- Class Tetralins
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Tetralins
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Tetralins
Alternative Parents
1-hydroxy-2-unsubstituted benzenoids Alkylarylthioethers Aralkylamines Pyridines and derivatives Quaternary ammonium salts Alpha-halocarboxylic acids Heteroaromatic compounds Carboxylic acid salts Sulfenyl compounds Carboxylic acids Azacyclic compounds Monocarboxylic acids and derivatives Monoalkylamines Hydrocarbon derivatives Carbonyl compounds Organofluorides Alkyl fluorides Organic oxides Organic zwitterions
Molecular Framework
Not available
Substituents
Tetralin - Aryl thioether - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Aralkylamine - Alkylarylthioether - Pyridine - Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - Heteroaromatic compound - Quaternary ammonium salt - Carboxylic acid salt - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Thioether - Sulfenyl compound - Carbonyl group - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Primary aliphatic amine - Alkyl halide - Organic oxide - Alkyl fluoride - Hydrocarbon derivative - Primary amine - Organic oxygen compound - Amine - Organic zwitterion - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as tetralins. These are polycyclic aromatic compounds containing a tetralin moiety, which consists of a benzene fused to a cyclohexane.
External Descriptors
Not available