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
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
p-Xylenes Phenoxy compounds Phenol ethers Alkyl aryl ethers Oxolanes Alkyl nitrates Organic nitric acids and derivatives Organic nitro compounds Oxacyclic compounds Carboxylic acids Dialkyl ethers Monocarboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds Organic salts Organic oxides Organic nitrogen compounds Organic cations
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