Structure Information
Structure

Compound Identification

SMILES

OCCS(=O)(=O)C1=C(C=CC(=C1)C(O)=O)[N+]([O-])=O

InChIKey

InChIKey=CBPMMURCSQZCNG-UHFFFAOYSA-N

Formula

C9H9NO7S

Mass

275.23

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzoic acids and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Nitrobenzoic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Nitrobenzoate - Benzoic acid - Nitrobenzene - Benzenesulfonyl group - Nitroaromatic compound - Benzoyl - Sulfone - Sulfonyl - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Carboxylic acid - Organic oxoazanium - Organic zwitterion - Organooxygen compound - Organonitrogen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Primary alcohol - Alcohol - Organic oxygen compound - Organic nitrogen compound - Organic salt - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as nitrobenzoic acids and derivatives. These are compounds containing a nitrobenzoic acid moiety, which consists of a benzene ring bearing both a carboxylic acid group and a nitro group on two different ring carbon atoms.

External Descriptors

Not available

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