Compound Identification
SMILES
OC(CC1(CC1)C1=C(F)C=C(C=C1)C(F)(F)F)(C(=O)NC1=CC2=C(C=C1)C(=O)OC2)C(F)(F)F
InChIKey
InChIKey=ZVVLSPYGFUHMOR-UHFFFAOYSA-N
Formula
C22H16F7NO4
Mass
491.362
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
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
Trifluoromethylbenzenes N-arylamides Fluorobenzenes Aryl fluorides Fatty amides Tertiary alcohols Secondary carboxylic acid amides Carboxylic acid esters Fluorohydrins Lactones Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Organofluorides Organopnictogen compounds Carbonyl compounds Alkyl fluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Trifluoromethylbenzene - Phthalide - N-arylamide - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Fatty amide - Fatty acyl - Benzenoid - Tertiary alcohol - Carboxamide group - Carboxylic acid ester - Fluorohydrin - Halohydrin - Lactone - Secondary carboxylic acid amide - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Oxacycle - Organic oxygen compound - Alkyl halide - Hydrocarbon derivative - Organic oxide - Alkyl fluoride - Alcohol - Carbonyl group - Organopnictogen compound - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - 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