Compound Identification
SMILES
[Na].COC1=C(C)C2=C(C(=O)OC2)C(O)=C1C\C=C(/C)CCC(O)=O
InChIKey
InChIKey=XXFIICJIHVLJFB-JOKMOOFLSA-N
Formula
C17H20NaO6
Mass
343.331
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Isocoumarans
-
Subclass
Isobenzofuranones
- Level 5 Phthalides
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Subclass
Isobenzofuranones
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Class
Isocoumarans
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Isocoumarans
Subclass
Isobenzofuranones
Intermediate Tree Nodes
Not available
Direct Parent
Phthalides
Alternative Parents
Anisoles Medium-chain fatty acids Phenols Alkyl aryl ethers Hydroxy fatty acids Unsaturated fatty acids Vinylogous acids Carboxylic acid esters Lactones Oxacyclic compounds Organic alkali metal salts Carboxylic acids Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phthalide - Anisole - Phenol ether - Medium-chain fatty acid - Alkyl aryl ether - Hydroxy fatty acid - Phenol - Fatty acyl - Unsaturated fatty acid - Fatty acid - Benzenoid - Vinylogous acid - Lactone - Carboxylic acid ester - Organic alkali metal salt - Oxacycle - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phthalides. These are compounds containing a 3-hydrocarbylidene-2-benzofuran-1(3H)-one moiety,.
External Descriptors
Not available