Structure Information
Structure

Compound Identification

SMILES

OC(=O)C1=C(C=C(SCC(=C)C2=CC=C(C=C2)[N+]([O-])=O)C=C1)[N+]([O-])=O

InChIKey

InChIKey=OALCCOMETLGFCO-UHFFFAOYSA-N

Formula

C16H12N2O6S

Mass

360.34

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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 - P-sulfanylbenzoic acid - P-sulfanylbenzoic acid or derivatives - Nitrobenzene - Benzoic acid - Aryl thioether - Nitroaromatic compound - Thiophenol ether - Styrene - Benzoyl - Alkylarylthioether - 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 - Sulfenyl compound - Thioether - Organic oxoazanium - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - 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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