Structure Information
Structure

Compound Identification

SMILES

OCCC(O)COC(=O)C1=CC=CC(C(O)=O)=C1S(O)(=O)=O

InChIKey

InChIKey=HMXIMSAHIPRSLT-UHFFFAOYSA-N

Formula

C12H14O9S

Mass

334.3

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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

2-sulfobenzoic acids

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

2-sulfobenzoic acid - Phthalate ester - Meta-phthalic acid ester - Meta_phthalic_acid - Benzoate ester - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Benzoic acid or derivatives - Benzoic acid - Benzoyl - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxylic acid ester - Secondary alcohol - Carboxylic acid - Carboxylic acid derivative - Organic oxide - Alcohol - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organosulfur compound - Primary alcohol - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as 2-sulfobenzoic acids. These are sulfobenzoic acid carrying the sulfonyl group at the 2-position of the benzene group.

External Descriptors

Not available

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