Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Furofurans

Subclass

Isosorbides

Intermediate Tree Nodes

Not available

Direct Parent

Isosorbides

Alternative Parents

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

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