Compound Identification
SMILES
COC1=C(Br)C2=C(C(=O)OC2)C(O)=C1C\C=C(/C)CCC(O)=O
InChIKey
InChIKey=HDTARZBAAGTXFM-FPYGCLRLSA-N
Formula
C16H17BrO6
Mass
385.21
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Isocoumarans
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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
P-bromophenols Anisoles Medium-chain fatty acids Alkyl aryl ethers Methyl-branched fatty acids Hydroxy fatty acids Halogenated fatty acids Heterocyclic fatty acids Unsaturated fatty acids Aryl bromides Vinylogous acids Carboxylic acid esters Lactones Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Carbonyl compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phthalide - 4-halophenol - 4-bromophenol - Phenol ether - Medium-chain fatty acid - Anisole - Methyl-branched fatty acid - Halogenated fatty acid - Alkyl aryl ether - Phenol - Hydroxy fatty acid - Heterocyclic fatty acid - Branched fatty acid - Benzenoid - Unsaturated fatty acid - Fatty acid - Fatty acyl - Aryl halide - Aryl bromide - Vinylogous acid - Carboxylic acid ester - Lactone - Ether - Carboxylic acid - Carboxylic acid derivative - Oxacycle - Monocarboxylic acid or derivatives - Organohalogen compound - Organobromide - Organic oxygen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - 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