Structure Information
Structure

Compound Identification

SMILES

OC1=C(C=C(\C=C2\SC3=NC4=C(CCC5=CC=CC=C45)C(N3C2=O)C2=CC=C(Cl)C=C2)C=C1[N+]([O-])=O)[N+]([O-])=O

InChIKey

InChIKey=PTBVCQORAWLJQS-LPYMAVHISA-N

Formula

C27H17ClN4O6S

Mass

560.97

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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

Naphthalenes Nitrobenzenes Nitroaromatic compounds Chlorobenzenes Aryl chlorides Thiazoles Heteroaromatic compounds Isothioureas Lactams Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organic oxides Organic salts Hydrocarbon derivatives Organic zwitterions Organochlorides Organonitrogen compounds Organooxygen compounds

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Dinitrophenol - Naphthalene - Nitrobenzene - Nitroaromatic compound - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Azole - Heteroaromatic compound - Thiazole - Organic nitro compound - Isothiourea - Lactam - C-nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organic oxide - Organic salt - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Hydrocarbon derivative - Organochloride - Organic zwitterion - Organonitrogen compound - Aromatic heteropolycyclic 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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