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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Phenols
-
Subclass
Nitrophenols
- Level 5 Dinitrophenols
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Subclass
Nitrophenols
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Class
Phenols
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenols
Subclass
Nitrophenols
Intermediate Tree Nodes
Not available
Direct Parent
Dinitrophenols
Alternative Parents
Nitrobenzoic acids and derivatives Diarylthioethers M-sulfanylbenzoic acids Hydroxybenzoic acid derivatives Benzoic acids Nitrobenzenes Thiophenol ethers Benzoyl derivatives Nitroaromatic compounds 1-hydroxy-2-unsubstituted benzenoids Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Carboxylic acids Organooxygen compounds Hydrocarbon derivatives Organic oxides Organic salts Organonitrogen compounds Organic cations
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