Structure Information
Structure

Compound Identification

SMILES

CC(O)CN.CCC(C)C1=CC(=CC(=C1O)[N+]([O-])=O)[N+]([O-])=O

InChIKey

InChIKey=CLIBIKHWBFUNNU-UHFFFAOYSA-N

Formula

C13H21N3O6

Mass

315.326

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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

Phenylpropanes Nitrobenzenes Nitroaromatic compounds Secondary alcohols 1,2-aminoalcohols Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic salts Organic oxides Monoalkylamines Hydrocarbon derivatives Organic cations

Molecular Framework

Not available

Substituents

Dinitrophenol - Nitrobenzene - Phenylpropane - Nitroaromatic compound - Monocyclic benzene moiety - 1,2-aminoalcohol - C-nitro compound - Secondary alcohol - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Hydrocarbon derivative - Organic salt - Primary amine - Organic oxide - Organooxygen compound - Organonitrogen compound - Amine - Organic oxygen compound - Alcohol - Primary aliphatic amine - Organic nitrogen compound - Organic cation - Aromatic homomonocyclic 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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