Structure Information
Structure

Compound Identification

SMILES

CC(CNCC1=CC=CC=C1SCC1=CC=CC=C1)(CNCC1=CC=CC=C1SCC1=CC=CC=C1)CC1=CC=C(C=C1)[N+]([O-])=O

InChIKey

InChIKey=IWDHPBQDCOTZSZ-UHFFFAOYSA-N

Formula

C39H41N3O2S2

Mass

647.9

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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 homomonocyclic compounds

Substituents

Nitrobenzene - Phenylpropane - Benzylamine - Aryl thioether - Nitroaromatic compound - Phenylmethylamine - Thiophenol ether - Aralkylamine - Alkylarylthioether - C-nitro compound - Organic nitro compound - Secondary aliphatic amine - Organic oxoazanium - Secondary amine - Thioether - Organic 1,3-dipolar compound - Sulfenyl compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Hydrocarbon derivative - Organosulfur compound - Organic salt - Organic nitrogen compound - Amine - Organic oxygen compound - Organic oxide - Organonitrogen compound - 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

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