Structure Information
Structure

Compound Identification

SMILES

COC1=C(OC)C(OC)=C2C(CCC(NCC3=CC(=CC=C3)[N+]([O-])=O)C3=CC(=O)C(SC)=CC=C23)=C1

InChIKey

InChIKey=XOWSULYKKPWVIN-UHFFFAOYSA-N

Formula

C27H28N2O6S

Mass

508.59

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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 homopolycyclic compounds

Substituents

Nitrobenzene - Anisole - Benzylamine - Phenylmethylamine - Tropone - Nitroaromatic compound - Aryl thioether - Aralkylamine - Alkylarylthioether - Alkyl aryl ether - Organic nitro compound - C-nitro compound - Cyclic ketone - Secondary aliphatic amine - Ether - Organic 1,3-dipolar compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Secondary amine - Thioether - Sulfenyl compound - Allyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organopnictogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Amine - Organic oxygen compound - Organic nitrogen compound - Organic zwitterion - Aromatic homopolycyclic 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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