Compound Identification
SMILES
CC(=O)OCC1=C(C(C2=CC3=C(OCO3)C=C2)C2=CC3=C(OCO3)C=C2O1)C(O)=O
InChIKey
InChIKey=CNYVWIAXGRHPQV-UHFFFAOYSA-N
Formula
C21H16O9
Mass
412.35
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Benzopyrans
- Subclass 1-benzopyrans
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Class
Benzopyrans
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzopyrans
Subclass
1-benzopyrans
Intermediate Tree Nodes
Not available
Direct Parent
1-benzopyrans
Alternative Parents
Benzodioxoles Dicarboxylic acids and derivatives Benzenoids Vinylogous esters Carboxylic acid esters Oxacyclic compounds Carboxylic acids Acetals Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-benzopyran - Benzodioxole - Dicarboxylic acid or derivatives - Benzenoid - Vinylogous ester - Carboxylic acid ester - Acetal - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 1-benzopyrans. These are organic aromatic compounds that 1-benzopyran, a bicyclic compound made up of a benzene ring fused to a pyran, so that the oxygen atom is at the 1-position.
External Descriptors
Not available