Compound Identification
SMILES
CCSC1=C(C=CC=N1)C(=O)O[C@@H]1COC2[C@H](COC12)O[N+]([O-])=O
InChIKey
InChIKey=IKUSZQDQCCMNGD-QKEWWQLBSA-N
Formula
C14H16N2O7S
Mass
356.35
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Furofurans
- Subclass Isosorbides
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Class
Furofurans
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Furofurans
Subclass
Isosorbides
Intermediate Tree Nodes
Not available
Direct Parent
Isosorbides
Alternative Parents
Pyridinecarboxylic acids Alkylarylthioethers Vinylogous thioesters Alkyl nitrates Oxolanes Heteroaromatic compounds Carboxylic acid esters Organic nitric acids and derivatives Organic nitro compounds Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Dialkyl ethers Organonitrogen compounds Organic salts Hydrocarbon derivatives Organic oxides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isosorbide - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Aryl thioether - Alkylarylthioether - Vinylogous thioester - Pyridine - Organic nitrate - Heteroaromatic compound - Oxolane - Alkyl nitrate - Carboxylic acid ester - Organic nitric acid or derivatives - Organic nitro compound - Carboxylic acid derivative - Dialkyl ether - Ether - Oxacycle - Azacycle - Organic 1,3-dipolar compound - Thioether - Sulfenyl compound - Allyl-type 1,3-dipolar organic compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Organic salt - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as isosorbides. These are organic polycyclic compounds containing an isosorbide(1,4-Dianhydrosorbitol) moiety, which consists of two -oxolan-3-ol rings.
External Descriptors
Not available