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
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
Dinitrotoluenes Nitrobenzoic acids and derivatives Diarylthioethers M-sulfanylbenzoic acids Hydroxybenzoic acid derivatives Benzoic acids Nitrobenzenes Thiophenol ethers Ortho cresols Benzoyl derivatives Nitroaromatic compounds Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Carboxylic acids Organic oxoazanium compounds Organooxygen compounds Hydrocarbon derivatives Organic oxides Organic salts Organonitrogen compounds Organic cations
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