Compound Identification
SMILES
COC1=C(C)C2=C(C(=O)OC2)C(NC(=O)C(F)(F)F)=C1C\C=C(/C)C(CCCN1CCOCC1)CC(O)=O
InChIKey
InChIKey=VIPZKFDZHLFPTB-GIDUJCDVSA-N
Formula
C26H33F3N2O7
Mass
542.552
Taxonomic Classification
Taxonomy Tree
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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
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Isocoumarans
Subclass
Isobenzofuranones
Intermediate Tree Nodes
Not available
Direct Parent
Phthalides
Alternative Parents
Methoxyanilines Anisoles N-arylamides Medium-chain fatty acids Alkyl aryl ethers Amino fatty acids Halogenated fatty acids Heterocyclic fatty acids Methyl-branched fatty acids Unsaturated fatty acids Morpholines Vinylogous amides Trialkylamines Amino acids Secondary carboxylic acid amides Carboxylic acid esters Lactones Dialkyl ethers Carboxylic acids Azacyclic compounds Oxacyclic compounds Monocarboxylic acids and derivatives Alkyl fluorides Carbonyl compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phthalide - Methoxyaniline - Phenol ether - Medium-chain fatty acid - N-arylamide - Anisole - Amino fatty acid - Halogenated fatty acid - Branched fatty acid - Alkyl aryl ether - Heterocyclic fatty acid - Methyl-branched fatty acid - Fatty acyl - Oxazinane - Morpholine - Fatty acid - Unsaturated fatty acid - Benzenoid - Vinylogous amide - Secondary carboxylic acid amide - Carboxamide group - Amino acid or derivatives - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid ester - Lactone - Amino acid - Oxacycle - Azacycle - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Organooxygen compound - Alkyl halide - Alkyl fluoride - Carbonyl group - Organic nitrogen compound - Amine - Organic oxygen compound - Organic oxide - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - 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