Compound Identification
SMILES
CC(=O)SC(C[N+]([O-])=O)C1=CC2=C(OCO2)C=C1
InChIKey
InChIKey=BQVOGCHEJCUTMP-UHFFFAOYSA-N
Formula
C11H11NO5S
Mass
269.27
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzodioxoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzodioxoles
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzodioxoles
Alternative Parents
Benzenoids Thioesters Carbothioic S-esters C-nitro compounds Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Carboxylic acids and derivatives Acetals Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodioxole - Benzenoid - C-nitro compound - Thiocarboxylic acid ester - Carbothioic s-ester - Organic nitro compound - Acetal - Carboxylic acid derivative - Organic oxoazanium - Thiocarboxylic acid or derivatives - Sulfenyl compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Oxacycle - Organosulfur compound - Carbonyl group - Organopnictogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Hydrocarbon derivative - Organooxygen 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