Structure Information
Structure

Compound Identification

SMILES

[NH4+].COC1=C(NC(=O)CC(C)=O)C=C(C)C(=C1)S([O-])(=O)=O

InChIKey

InChIKey=ZPDRZMNAFLBUOA-UHFFFAOYSA-N

Formula

C12H18N2O6S

Mass

318.34

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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

Not available

Direct Parent

Benzenesulfonic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Benzenesulfonate - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Methoxyaniline - Anilide - 1-sulfo,2-unsubstituted aromatic compound - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - N-arylamide - Alkyl aryl ether - Toluene - Fatty amide - Fatty acyl - 1,3-dicarbonyl compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Secondary carboxylic acid amide - Ketone - Carboxamide group - Ether - Carboxylic acid derivative - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Carbonyl group - Organic oxygen compound - Organopnictogen compound - Organic salt - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as benzenesulfonic acids and derivatives. These are organic compounds containing a sulfonic acid or a derivative thereof that is linked to a benzene ring.

External Descriptors

Not available

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