Structure Information
Structure

Compound Identification

SMILES

OC1=C(C=C(C=C1)C#N)[N+]([O-])=O.OC1=C(C=C(C=C1)[N+]([O-])=O)[N+]([O-])=O.[O-][N+](=O)C1=CC(=C(Cl)C=C1)[N+]([O-])=O.CC1=CC(=CC(=C1O)[N+]([O-])=O)[N+]([O-])=O.CCC(C)C1=CC(=CC(=C1O)[N+]([O-])=O)[N+]([O-])=O

InChIKey

InChIKey=FZZKPSHQZUOTPR-UHFFFAOYSA-N

Formula

C36H29ClN10O22

Mass

989.13

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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

Dinitrotoluenes Phenylpropanes Nitrobenzenes Ortho cresols Benzonitriles Nitroaromatic compounds 1-hydroxy-2-unsubstituted benzenoids Chlorobenzenes Aryl chlorides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Nitriles Organooxygen compounds Hydrocarbon derivatives Organic oxides Organic salts Organochlorides Organic cations

Molecular Framework

Not available

Substituents

Dinitrotoluene - Dinitrophenol - Nitrobenzene - Phenylpropane - Nitrotoluene - Nitroaromatic compound - Benzonitrile - O-cresol - 1-hydroxy-2-unsubstituted benzenoid - Chlorobenzene - Halobenzene - Toluene - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Carbonitrile - Nitrile - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Cyanide - Organic nitrogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic salt - 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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