Structure Information
Structure

Compound Identification

SMILES

CC1=CC(NC2=NC(=O)C(S2)=CC2=CC(=CC(=C2O)[N+]([O-])=O)[N+]([O-])=O)=CC(C)=C1

InChIKey

InChIKey=VOYVRBLQRGXMLV-UHFFFAOYSA-N

Formula

C18H14N4O6S

Mass

414.39

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Phenols

Subclass

Nitrophenols

Intermediate Tree Nodes

Not available

Direct Parent

Dinitrophenols

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Dinitrophenol - Nitrobenzene - Nitroaromatic compound - M-xylene - Xylene - Aniline or substituted anilines - Monocyclic benzene moiety - Meta-thiazoline - Isothiourea - C-nitro compound - Organic nitro compound - N-acylimine - Carboxylic acid derivative - Organic oxoazanium - Azacycle - Organoheterocyclic compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic zwitterion - Amine - Organic oxygen compound - Organic oxide - Organic salt - Aromatic heteromonocyclic compound

Description

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

External Descriptors

Not available

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