Structure Information
Structure

Compound Identification

SMILES

C[C@@H](SC1=CC=C(C=C1)[N+]([O-])=O)C(=O)OC1=CC2=C(OCO2)C=C1

InChIKey

InChIKey=PSTRELCHGVHVOQ-SNVBAGLBSA-N

Formula

C16H13NO6S

Mass

347.34

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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 - Nitrobenzene - Aryl thioether - Nitroaromatic compound - Thiophenol ether - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Oxacycle - Carboxylic acid derivative - Acetal - Monocarboxylic acid or derivatives - Organic oxoazanium - Thioether - Sulfenyl compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organosulfur compound - Organic salt - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organopnictogen compound - Organic cation - 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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