Compound Identification
SMILES
COC1=C(C)C2=C(C(=O)OC2)C(O)=C1CC=C(C)CCC(=O)OCCN1CCOCC1
InChIKey
InChIKey=RTGDFNSFWBGLEC-UHFFFAOYSA-N
Formula
C23H31NO7
Mass
433.501
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
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Isocoumarans
Subclass
Isobenzofuranones
Intermediate Tree Nodes
Not available
Direct Parent
Phthalides
Alternative Parents
Anisoles Alkyl aryl ethers Fatty acid esters Morpholines Dicarboxylic acids and derivatives Vinylogous acids Trialkylamines Amino acids and derivatives Lactones Carboxylic acid esters Oxacyclic compounds Dialkyl ethers Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phthalide - Anisole - Alkyl aryl ether - Fatty acid ester - Dicarboxylic acid or derivatives - Morpholine - Oxazinane - Fatty acyl - Benzenoid - Vinylogous acid - Amino acid or derivatives - Carboxylic acid ester - Lactone - Tertiary amine - Tertiary aliphatic amine - Ether - Dialkyl ether - Carboxylic acid derivative - Oxacycle - Azacycle - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Amine - Carbonyl group - Organooxygen compound - Organic oxygen 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