Compound Identification
SMILES
O[C@H]1CO[C@@]2(O)[C@@H]1OC(=O)[C@]2(O)C(C[N+]([O-])=O)C1=CC=C(Cl)C=C1
InChIKey
InChIKey=QMKFYBFLRUQGKY-RZZUOMTDSA-N
Formula
C14H14ClNO8
Mass
359.72
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
Chlorobenzenes Aryl chlorides Gamma butyrolactones Monosaccharides Tertiary alcohols Oxolanes Secondary alcohols C-nitro compounds Carboxylic acid esters Hemiacetals Propargyl-type 1,3-dipolar organic compounds Polyols Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxoazanium compounds Organic zwitterions Organochlorides Hydrocarbon derivatives Carbonyl compounds Organic salts Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isosorbide - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Monosaccharide - Benzenoid - Gamma butyrolactone - Oxolane - Tertiary alcohol - Lactone - C-nitro compound - Secondary alcohol - Carboxylic acid ester - Organic nitro compound - Hemiacetal - Carboxylic acid derivative - Oxacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Polyol - Organic oxoazanium - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organic salt - Organic zwitterion - Carbonyl group - Alcohol - Organooxygen compound - Organohalogen compound - Hydrocarbon derivative - Organochloride - Organonitrogen compound - 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