Structure Information
Structure

Compound Identification

SMILES

CC1=C(SC2=C(C(C(=O)OCC3=CC=CC=C3)=C(C(OCC3=CC=CC=C3)=C2C)[N+]([O-])=O)[N+]([O-])=O)C(=C(C=C1)C(O)=O)[N+]([O-])=O

InChIKey

InChIKey=GHUPVIULSDMKLZ-UHFFFAOYSA-N

Formula

C30H23N3O11S

Mass

633.58

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Toluenes

Intermediate Tree Nodes

Nitrotoluenes

Direct Parent

Dinitrotoluenes

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Dinitrotoluene - Nitrobenzoate - Nitrophenyl ether - Diarylthioether - Benzoate ester - Benzyloxycarbonyl - M-sulfanylbenzoic acid - M-sulfanylbenzoic acid or derivatives - Benzoic acid or derivatives - Benzoic acid - Nitrobenzene - Phenoxy compound - Aryl thioether - Benzoyl - Nitroaromatic compound - Phenol ether - Thiophenol ether - Alkyl aryl ether - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Sulfenyl compound - Carboxylic acid derivative - Thioether - Carboxylic acid - Ether - Organic oxoazanium - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organic salt - Organonitrogen compound - Organooxygen compound - Organic cation - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as dinitrotoluenes. These are organic aromatic compounds containing a benzene that carries a single methyl group and exactly two nitro groups.

External Descriptors

Not available

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