Compound Identification
SMILES
[O-][N+](=O)C1=CC=C(C=C1)C(=O)SC1=CC=CC=C1
InChIKey
InChIKey=OJZKFJGPRODCAB-UHFFFAOYSA-N
Formula
C13H9NO3S
Mass
259.28
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Nitrobenzenes
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Nitrobenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Nitrobenzenes
Alternative Parents
Thiobenzoic acids and derivatives Benzoic acids and derivatives Aryl thioethers Benzoyl derivatives Nitroaromatic compounds Thioesters Carbothioic S-esters Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Carboxylic acids and derivatives Organic oxoazanium compounds Organopnictogen compounds Hydrocarbon derivatives Organonitrogen compounds Organic oxides Organooxygen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzoic acid or derivatives - Nitrobenzene - Thiobenzoic acid or derivatives - Aryl thioether - Nitroaromatic compound - Benzoyl - C-nitro compound - Thiocarboxylic acid ester - Organic nitro compound - Carbothioic s-ester - Carboxylic acid derivative - Organic oxoazanium - Thiocarboxylic acid or derivatives - Organic 1,3-dipolar compound - Sulfenyl compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organooxygen compound - Organonitrogen compound - Organosulfur compound - Organic oxygen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxide - 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