Compound Identification
SMILES
CNC1=C(CC=C(C(O)C(C)(C(=O)OC)C2=CC=CC=C2)C(F)(F)F)C(OC)=C(C)C2=C1C(=O)OC2
InChIKey
InChIKey=BQWRYDQGTLUOPT-UHFFFAOYSA-N
Formula
C26H28F3NO6
Mass
507.506
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
Methoxyanilines Anisoles Alkyl aryl ethers Beta hydroxy acids and derivatives Fatty acid esters Secondary alkylarylamines Methyl esters Vinylogous amides Lactones Amino acids and derivatives Secondary alcohols Monocarboxylic acids and derivatives Oxacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides Organofluorides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phthalide - Methoxyaniline - Anisole - Phenol ether - Alkyl aryl ether - Beta-hydroxy acid - Fatty acid ester - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Hydroxy acid - Fatty acyl - Benzenoid - Vinylogous amide - Methyl ester - Secondary alcohol - Amino acid or derivatives - Carboxylic acid ester - Lactone - Oxacycle - Secondary amine - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Ether - Alkyl fluoride - Organic oxide - Organic nitrogen compound - Organohalogen compound - Organofluoride - Carbonyl group - Organopnictogen compound - Alcohol - Organic oxygen compound - Organonitrogen compound - Amine - Organooxygen compound - Hydrocarbon derivative - Alkyl halide - 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