Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C1=CC=C(C=C2CS(=O)(=O)CC(=CC3=CC=C(C=C3)[N+]([O-])=O)C2=O)C=C1

InChIKey

InChIKey=SSAMIOWVUGBIJK-UHFFFAOYSA-N

Formula

C19H14N2O7S

Mass

414.39

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Nitrobenzenes

Intermediate Tree Nodes

Not available

Direct Parent

Nitrobenzenes

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Nitrobenzene - Nitroaromatic compound - Thiane - Sulfone - Ketone - C-nitro compound - Organic nitro compound - Cyclic ketone - Organic oxoazanium - Organoheterocyclic compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic salt - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Organic cation - 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

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