Compound Identification
SMILES
CC(=O)SC1=CC=C(C=C1)C#CC1=C(C=C(C=C1)C#CC1=CC=C(C=C1)C(O)=O)[N+]([O-])=O
InChIKey
InChIKey=XKYNLBFYOMQSBY-UHFFFAOYSA-N
Formula
C25H15NO5S
Mass
441.46
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
Thiophenol esters Benzoic acids Aryl thioethers Benzoyl derivatives Nitroaromatic compounds Thioesters Carbothioic S-esters Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Carboxylic acids Organonitrogen compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic salts Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzoic acid or derivatives - Benzoic acid - Nitrobenzene - Thiophenol ester - Aryl thioether - Nitroaromatic compound - Benzoyl - C-nitro compound - Thiocarboxylic acid ester - Organic nitro compound - Carbothioic s-ester - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Carboxylic acid - Organic oxoazanium - Thiocarboxylic acid or derivatives - Sulfenyl compound - Allyl-type 1,3-dipolar organic compound - Organonitrogen compound - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Organosulfur compound - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Organic salt - Organic cation - 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