Structure Information
Structure

Compound Identification

SMILES

[Cl-].CC1CCCC(C)[NH+]1CCCOC(=O)C1=CC=CC=C1S

InChIKey

InChIKey=RAOMCFZAXRPCNG-UHFFFAOYSA-N

Formula

C17H26ClNO2S

Mass

343.91

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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

Sulfanylbenzoic acids and derivatives

Direct Parent

O-sulfanylbenzoic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Benzoate ester - O-sulfanylbenzoic acid or derivatives - Benzoyl - Thiophenol - Piperidine - Amino acid or derivatives - Carboxylic acid ester - Tertiary amine - Tertiary aliphatic amine - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Arylthiol - Monocarboxylic acid or derivatives - Organic zwitterion - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Amine - Hydrocarbon derivative - Organic oxygen compound - Organic salt - Organic nitrogen compound - Organic chloride salt - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as o-sulfanylbenzoic acids and derivatives. These are benzoic acids (or derivatives) which bear a sulfanyl group (R-SH) attached to the benzene ring at positions 1 and 2, respectively.

External Descriptors

Not available

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