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
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
Nitrobenzenes Thiophenol ethers Nitroaromatic compounds Alkylarylthioethers Carboxylic acid esters Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Acetals Organic oxoazanium compounds Monocarboxylic acids and derivatives Organopnictogen compounds Organic oxides Hydrocarbon derivatives Organic salts Carbonyl compounds Organonitrogen compounds Organic cations
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