Structure Information
Structure

Compound Identification

SMILES

OC(=O)C1=C(C(O)=CC(SC2=CC=CC=C2[N+]([O-])=O)=C1[N+]([O-])=O)[N+]([O-])=O

InChIKey

InChIKey=LKCDEYPTDFGOBX-UHFFFAOYSA-N

Formula

C13H7N3O9S

Mass

381.27

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Phenols

Subclass

Nitrophenols

Intermediate Tree Nodes

Not available

Direct Parent

Dinitrophenols

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Dinitrophenol - Nitrobenzoate - Diarylthioether - M-sulfanylbenzoic acid or derivatives - M-sulfanylbenzoic acid - Hydroxybenzoic acid - Nitrobenzene - Benzoic acid or derivatives - Benzoic acid - Nitroaromatic compound - Aryl thioether - Benzoyl - Thiophenol ether - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Carboxylic acid - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Sulfenyl compound - Organic oxoazanium - Thioether - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic salt - Organic cation - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as dinitrophenols. These are organic aromatic compounds containing a benzene that carries a single phenol group and exactly two nitro groups.

External Descriptors

Not available

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