Compound Identification
SMILES
O=C(O[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)OC(=O)C1=CC=CC=C1)C1=CC=CC=C1
InChIKey
InChIKey=FQTGYQKXWLOIEK-BRSBDYLESA-N
Formula
C20H18O6
Mass
354.358
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
Benzoic acid esters Benzoyl derivatives Dicarboxylic acids and derivatives Oxolanes Carboxylic acid esters Oxacyclic compounds Dialkyl ethers Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoate ester - Isosorbide - Benzoic acid or derivatives - Benzoyl - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - Oxolane - Carboxylic acid ester - Oxacycle - Ether - Dialkyl ether - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic oxygen 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