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Structure Information
Structure

Compound Identification

SMILES

CCCCCCCCCCCCCCCCOC(=O)C1=CC(=CC(=C1SC1=NC=NC2=C1NC=N2)[N+]([O-])=O)[N+]([O-])=O

InChIKey

InChIKey=ICLGESMTMDAOGE-UHFFFAOYSA-N

Formula

C28H38N6O6S

Mass

586.71

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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 heteropolycyclic compounds

Substituents

Nitrobenzoate - Diarylthioether - 6-thiopurine - O-sulfanylbenzoic acid or derivatives - Benzoate ester - Imidazopyrimidine - Nitrobenzene - Purine - Thiophenol ether - Aryl thioether - Benzoyl - Nitroaromatic compound - Vinylogous thioester - Pyrimidine - Imidazole - Heteroaromatic compound - Azole - Carboxylic acid ester - Organic nitro compound - C-nitro compound - Thioether - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Sulfenyl compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic oxoazanium - Azacycle - Organoheterocyclic compound - Organic zwitterion - Organic oxygen compound - Organic nitrogen compound - Organic salt - Hydrocarbon derivative - Organonitrogen compound - Organic oxide - Organooxygen compound - Organosulfur compound - Aromatic heteropolycyclic 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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