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Structure Information
Structure

Compound Identification

SMILES

CC1=NN(C(=O)C1N=NC1=C(C=C(Cl)C(=C1)C(O)=O)S(O)(=O)=O)C1=CC=C(C=C1)S(=O)(=O)CCOS(O)(=O)=O

InChIKey

InChIKey=SCGIHGXPLQQTDW-UHFFFAOYSA-N

Formula

C19H17ClN4O12S3

Mass

624.99

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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

4-sulfobenzoic acids

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

4-sulfobenzoic acid - Alpha-amino acid or derivatives - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 2-halobenzoic acid - Halobenzoic acid - 1-sulfo,2-unsubstituted aromatic compound - Benzenesulfonyl group - Arylsulfonic acid or derivatives - Benzoic acid - Benzoic acid or derivatives - Benzoyl - 1-carboxy-2-haloaromatic compound - Halobenzene - Chlorobenzene - Alkyl sulfate - Sulfuric acid monoester - Aryl halide - Aryl chloride - Pyrazolinone - Sulfuric acid ester - Sulfate-ester - Vinylogous halide - Sulfonyl - Organic sulfuric acid or derivatives - Pyrazoline - Organosulfonic acid - Sulfone - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Azo compound - Organoheterocyclic compound - Azacycle - Organic 1,3-dipolar compound - Carboxylic acid derivative - Carboxylic acid - Propargyl-type 1,3-dipolar organic compound - Carbonyl group - Organochloride - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organic oxygen compound - Organohalogen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as 4-sulfobenzoic acids. These are sulfobenzoic acid carrying the sulfonyl group at the 4-position of the benzene group.

External Descriptors

Not available

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