Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)O[C@@H]1CO[C@@H]2[C@H](CO[C@H]12)O[N+]([O-])=O.CC1=CC(OCCCC(C)(C)C(O)=O)=C(C)C=C1

InChIKey

InChIKey=GCHVKDIRQWTSFG-VCDGYCQFSA-N

Formula

C21H30N2O11

Mass

486.474

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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

Not available

Substituents

Isosorbide - Phenoxy compound - P-xylene - Xylene - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Organic nitrate - Alkyl nitrate - Oxolane - Organic nitric acid or derivatives - Organic nitro compound - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Oxacycle - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organic salt - Organic oxygen compound - Carbonyl group - 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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