Structure Information
Structure

Compound Identification

SMILES

OC(=O)C(C(=O)\C=C\C1=CC=CC=C1[N+]([O-])=O)=C1SCCS1

InChIKey

InChIKey=RUDUCQCCBQGKJI-AATRIKPKSA-N

Formula

C14H11NO5S2

Mass

337.36

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Nitrobenzenes

Intermediate Tree Nodes

Not available

Direct Parent

Nitrobenzenes

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Nitrobenzene - Medium-chain keto acid - Nitroaromatic compound - Styrene - Beta-keto acid - Heterocyclic fatty acid - Beta-hydroxy ketone - Unsaturated fatty acid - Vinylogous thioester - Fatty acyl - Keto acid - Acryloyl-group - Dithiolane - Enone - 1,3-dithiolane - Alpha,beta-unsaturated ketone - C-nitro compound - Ketone - Organic nitro compound - Ketene acetal or derivatives - Carboxylic acid derivative - Carboxylic acid - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Organic oxoazanium - Hydrocarbon derivative - Organic oxygen compound - Organopnictogen compound - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.

External Descriptors

Not available

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