Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=C(C(OC)=C(C)C(SC2=C(C)C=CC(C(O)=O)=C2[N+]([O-])=O)=C1[N+]([O-])=O)[N+]([O-])=O

InChIKey

InChIKey=ZQLTXXMEHOGJHB-UHFFFAOYSA-N

Formula

C18H15N3O11S

Mass

481.39

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