Structure Information
Structure

Compound Identification

SMILES

CSC1=[N+](C(C2=C(SCCCCCO)C(=CC=C2)[N+]([O-])=O)C(C(O)=O)=C(C)N1)C(=O)OC(C)(C)C

InChIKey

InChIKey=ZQWNTYLFEXPFHS-UHFFFAOYSA-O

Formula

C23H32N3O7S2

Mass

526.64

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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 - Aryl thioether - Nitroaromatic compound - Thiophenol ether - Alkylarylthioether - Hydropyrimidine - Vinylogous amide - C-nitro compound - Organic nitro compound - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Sulfenyl compound - Carboximidamide - Monocarboxylic acid or derivatives - Thioether - Organic oxoazanium - Organic salt - Carbonyl group - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Primary alcohol - Organic oxygen compound - Alcohol - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Organic cation - 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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