Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Tetralins

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Tetralins

Alternative Parents

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

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