Structure Information
Structure

Compound Identification

SMILES

Cl.COCCN(CCOC)[C@@H]1CCCC[C@H]1SC(=O)C1=CC=C(Br)C=C1

InChIKey

InChIKey=OYHDHHTUWUMYAW-JAXOOIEVSA-N

Formula

C19H29BrClNO3S

Mass

466.86

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzoic acids and derivatives

Intermediate Tree Nodes

Halobenzoic acids and derivatives

Direct Parent

4-halobenzoic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

4-halobenzoic acid or derivatives - Thiobenzoic acid or derivatives - Benzoyl - Bromobenzene - Cyclohexylamine - Halobenzene - Aryl bromide - Aryl halide - Amino acid or derivatives - Carbothioic s-ester - Tertiary aliphatic amine - Thiocarboxylic acid ester - Tertiary amine - Carboxylic acid derivative - Sulfenyl compound - Dialkyl ether - Ether - Thiocarboxylic acid or derivatives - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - Hydrochloride - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as 4-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 4-position of the benzene ring.

External Descriptors

Not available

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