Structure Information
Structure

Compound Identification

SMILES

OC(=O)CS.OC[C@@H](NC(=O)C(Cl)Cl)[C@H](O)C1=CC=C(C=C1)[N+]([O-])=O

InChIKey

InChIKey=XQZRNKWXFSVIJE-VTLYIQCISA-N

Formula

C13H16Cl2N2O7S

Mass

415.24

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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

Not available

Substituents

Nitrobenzene - Nitroaromatic compound - 2-mercaptocarboxylic acid - Carboxamide group - C-nitro compound - Secondary alcohol - Organic nitro compound - Secondary carboxylic acid amide - Alkylthiol - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxoazanium - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Alkyl chloride - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxide - Organic oxygen compound - Alcohol - Alkyl halide - Primary alcohol - Hydrocarbon derivative - Organic salt - Aromatic alcohol - Carbonyl group - Organic zwitterion - Organic nitrogen compound - 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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