Structure Information
Structure

Compound Identification

SMILES

[K].CCCCCCC(CCCCCC)CCOC(=O)C1=C(C=C(C=C1)C(O)=O)S(O)(=O)=O

InChIKey

InChIKey=WHLDOJWUVARDGY-UHFFFAOYSA-N

Formula

C23H36KO7S

Mass

495.69

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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

Aromatic homomonocyclic compounds

Substituents

3-sulfobenzoic acid - Para-phthalic acid ester - Phthalate ester - Para_phthalic_acid - Benzoate ester - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Benzoic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Benzoic acid - Benzoyl - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxylic acid ester - Carboxylic acid - Carboxylic acid derivative - Organic alkali metal salt - Hydrocarbon derivative - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - 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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