Compound Identification
SMILES
COC1=C(OC)C(Cl)=C(OC(=O)CC\C(C)=C\CC2=C(NC(=O)N(C)C)C3=C(COC3=O)C(C)=C2OC)C=C1
InChIKey
InChIKey=WNNHJKPXYAPJBW-OVCLIPMQSA-N
Formula
C28H33ClN2O8
Mass
561.03
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
Dimethoxybenzenes Phenol esters Methoxyanilines Anisoles Phenoxy compounds Alkyl aryl ethers Chlorobenzenes Fatty acid esters Aryl chlorides Vinylogous amides Lactones Ureas Carboxylic acid esters Monocarboxylic acids and derivatives Oxacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenol ester - Phthalide - O-dimethoxybenzene - Dimethoxybenzene - Methoxyaniline - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - Alkyl aryl ether - Chlorobenzene - Fatty acid ester - Halobenzene - Fatty acyl - Benzenoid - Aryl halide - Monocyclic benzene moiety - Aryl chloride - Vinylogous amide - Urea - Lactone - Carboxylic acid ester - Oxacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Ether - Hydrocarbon derivative - Organic nitrogen compound - Organohalogen compound - Carbonyl group - Organochloride - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - 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