Structure Information
Structure

Compound Identification

SMILES

CCN(CCO)C1=CC=C(C=C1)[N+]#N.OC(=O)C1=CC(=CC(=C1)C(O)=O)S([O-])(=O)=O

InChIKey

InChIKey=KPVOXRNTJWERIJ-UHFFFAOYSA-M

Formula

C18H19N3O8S

Mass

437.42

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzenesulfonic acids and derivatives

Intermediate Tree Nodes

Sulfobenzoic acids

Direct Parent

3-sulfobenzoic acids

Alternative Parents

Molecular Framework

Not available

Substituents

3-sulfobenzoic acid - Meta_phthalic_acid - Benzoic acid - 1-sulfo,2-unsubstituted aromatic compound - Benzoic acid or derivatives - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Dialkylarylamine - Aniline or substituted anilines - Benzoyl - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organic diazonium salt - Tertiary amine - 1,2-aminoalcohol - Carboxylic acid - Carboxylic acid derivative - Alkanolamine - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Primary alcohol - Hydrocarbon derivative - Amine - Organic oxide - Alcohol - Organic cation - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as 3-sulfobenzoic acids. These are sulfobenzoic acid carrying the sulfonyl group at the 3-position of the benzene group.

External Descriptors

Not available

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