Compound Identification
SMILES
OC(=O)C(C(=O)\C=C\C1=CC=CC=C1[N+]([O-])=O)=C1SCCS1
InChIKey
InChIKey=RUDUCQCCBQGKJI-AATRIKPKSA-N
Formula
C14H11NO5S2
Mass
337.36
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
Medium-chain keto acids and derivatives Styrenes Nitroaromatic compounds Beta-keto acids and derivatives Heterocyclic fatty acids Vinylogous thioesters Unsaturated fatty acids Beta-hydroxy ketones 1,3-dithiolanes Acryloyl compounds Enones Ketene acetals Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Carboxylic acids Monocarboxylic acids and derivatives Organonitrogen compounds Organic oxides Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Medium-chain keto acid - Nitroaromatic compound - Styrene - Beta-keto acid - Heterocyclic fatty acid - Beta-hydroxy ketone - Unsaturated fatty acid - Vinylogous thioester - Fatty acyl - Keto acid - Acryloyl-group - Dithiolane - Enone - 1,3-dithiolane - Alpha,beta-unsaturated ketone - C-nitro compound - Ketone - Organic nitro compound - Ketene acetal or derivatives - Carboxylic acid derivative - Carboxylic acid - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Organic oxoazanium - Hydrocarbon derivative - Organic oxygen compound - Organopnictogen compound - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Aromatic heteromonocyclic 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