Structure Information
Structure

Compound Identification

SMILES

CC1=C(SC2=C(C(C(O)=O)=C(C(O)=C2C)[N+]([O-])=O)[N+]([O-])=O)C(=C(C=C1)C(O)=O)[N+]([O-])=O

InChIKey

InChIKey=CHNNTDQFLCGQGB-UHFFFAOYSA-N

Formula

C16H11N3O11S

Mass

453.33

Export to:

JSON SDF CSV

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

Dinitrotoluene - Dinitrophenol - Nitrobenzoate - Diarylthioether - Hydroxybenzoic acid - M-sulfanylbenzoic acid - M-sulfanylbenzoic acid or derivatives - Nitrotoluene - Benzoic acid - Benzoic acid or derivatives - Nitrobenzene - Nitroaromatic compound - Aryl thioether - Benzoyl - Thiophenol ether - O-cresol - Toluene - Monocyclic benzene moiety - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Carboxylic acid - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Sulfenyl compound - Organic oxoazanium - Thioether - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Organic salt - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - 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

Previous Back Next