Compound Identification
SMILES
CCOC(=O)C(C(C[N+]([O-])=O)C1=CC2=C(OCO2)C=C1)C(=O)CCC1SCCS1
InChIKey
InChIKey=URRPJMNETXYERH-UHFFFAOYSA-N
Formula
C19H23NO7S2
Mass
441.51
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
Beta-keto acids and derivatives Fatty acid esters 1,3-dicarbonyl compounds Benzenoids 1,3-dithiolanes Dithioacetals C-nitro compounds Carboxylic acid esters Ketones Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Acetals Organic oxoazanium compounds Dialkylthioethers Monocarboxylic acids and derivatives Organic salts Aldehydes Organopnictogen compounds Organic oxides Hydrocarbon derivatives Organonitrogen compounds Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodioxole - Beta-keto acid - Fatty acid ester - Fatty acyl - Keto acid - 1,3-dicarbonyl compound - Benzenoid - Thioacetal - Dithiolane - 1,3-dithiolane - Carboxylic acid ester - Organic nitro compound - Ketone - C-nitro compound - Acetal - Carboxylic acid derivative - Oxacycle - Dialkylthioether - Monocarboxylic acid or derivatives - Organic 1,3-dipolar compound - Organic oxoazanium - Thioether - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic salt - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Aldehyde - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - 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