Structure Information
Structure

Compound Identification

SMILES

CC1=C(CCCCCC(O)=O)[N+]2=C(C=C(C=C2)S(O)(=O)=O)C1(C)C

InChIKey

InChIKey=HKDMYXWXOCPZCX-UHFFFAOYSA-O

Formula

C17H24NO5S

Mass

354.44

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic acids and derivatives

Class

Organic sulfonic acids and derivatives

Subclass

Organosulfonic acids and derivatives

Intermediate Tree Nodes

Arylsulfonic acids and derivatives - Arylsufonic acids

Direct Parent

1-sulfo,2-unsubstituted aromatic compounds

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

1-sulfo,2-unsubstituted aromatic compound - Medium-chain fatty acid - Heterocyclic fatty acid - Pyridine - Pyridinium - Fatty acyl - Organosulfonic acid - Heteroaromatic compound - Sulfonyl - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Organic cation - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 1-sulfo,2-unsubstituted aromatic compounds. These are an arylsulfonic acid carrying the sulfonic acid group at the 1-position, and no substitute at the 2-position of the aromatic ring.

External Descriptors

Not available

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