Structure Information
Structure

Compound Identification

SMILES

CC1=NOC(NS(=O)(=O)C2=C(SC=C2)C(=O)OC2=CC3=C(OCO3)C=C2)=C1Br

InChIKey

InChIKey=JQBUPYPWHBIMNX-UHFFFAOYSA-N

Formula

C16H11BrN2O7S2

Mass

487.3

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzodioxoles

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Benzodioxoles

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Benzodioxole - Thiophene carboxylic acid or derivatives - Aryl bromide - Aryl halide - Organosulfonic acid amide - Benzenoid - Azole - Isoxazole - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Thiophene - Aminosulfonyl compound - Heteroaromatic compound - Carboxylic acid ester - Oxacycle - Azacycle - Carboxylic acid derivative - Acetal - Monocarboxylic acid or derivatives - Organic oxygen compound - Organohalogen compound - Organobromide - Organic oxide - Organonitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as benzodioxoles. These are organic compounds containing a benzene ring fused to either isomers of dioxole. Dioxole is a five-membered unsaturated ring of two oxygen atoms and three carbon atoms.

External Descriptors

Not available

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