Structure Information
Structure

Compound Identification

SMILES

CCCC1=C(C(N2C(=O)C(SC2=N1)=CC1=CC(=C(O)C(=C1)[N+]([O-])=O)[N+]([O-])=O)C1=C(OC)C=CC2=CC=CC=C12)C(=O)OCC

InChIKey

InChIKey=KSUWLKCTHCXXIW-UHFFFAOYSA-N

Formula

C30H26N4O9S

Mass

618.62

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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 heteropolycyclic compounds

Substituents

Dinitrophenol - Naphthalene - Nitrobenzene - Nitroaromatic compound - Anisole - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Azole - Heteroaromatic compound - Thiazole - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Isothiourea - Lactam - C-nitro compound - Organic nitro compound - Organoheterocyclic compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Carboxylic acid derivative - Azacycle - Monocarboxylic acid or derivatives - Ether - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Carbonyl group - Organic salt - Organic zwitterion - Hydrocarbon derivative - 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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