Structure Information
Structure

Compound Identification

SMILES

CCC(SC(C[N+]([O-])=O)C1=CC2=C(OCO2)C=C1)C([O-])=O

InChIKey

InChIKey=OKWFOBMCWCMNMZ-UHFFFAOYSA-M

Formula

C13H14NO6S

Mass

312.32

Export to:

JSON SDF CSV

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 - Thia fatty acid - Benzenoid - Fatty acyl - Carboxylic acid salt - C-nitro compound - Organic nitro compound - Acetal - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxoazanium - Thioether - Sulfenyl compound - Dialkylthioether - Oxacycle - Organooxygen compound - Organonitrogen compound - Organosulfur compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic salt - 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

Previous Back Next