Structure Information
Structure

Compound Identification

SMILES

CC(=O)SC1=CC=C(C=C1)C#CC1=C(C=C(C=C1)C#CC1=CC=C(C=C1)C(O)=O)[N+]([O-])=O

InChIKey

InChIKey=XKYNLBFYOMQSBY-UHFFFAOYSA-N

Formula

C25H15NO5S

Mass

441.46

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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 homomonocyclic compounds

Substituents

Benzoic acid or derivatives - Benzoic acid - Nitrobenzene - Thiophenol ester - Aryl thioether - Nitroaromatic compound - Benzoyl - C-nitro compound - Thiocarboxylic acid ester - Organic nitro compound - Carbothioic s-ester - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Carboxylic acid - Organic oxoazanium - Thiocarboxylic acid or derivatives - Sulfenyl compound - Allyl-type 1,3-dipolar organic compound - Organonitrogen compound - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Organosulfur compound - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Organic salt - Organic cation - Aromatic homomonocyclic 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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