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
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
Thia fatty acids Benzenoids C-nitro compounds Carboxylic acid salts Sulfenyl compounds Oxacyclic compounds Acetals Organic oxoazanium compounds Carboxylic acids Monocarboxylic acids and derivatives Dialkylthioethers Organopnictogen compounds Hydrocarbon derivatives Organic oxides Carbonyl compounds Organic salts Organonitrogen compounds Organic cations
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