Compound Identification
SMILES
O=C(NC1=NN=C(NCCCCC2=CC=CC=C2)S1)C1=CC2=C(C=C1)C(=O)OC2=O
InChIKey
InChIKey=JEOFYUDGFDLMOM-UHFFFAOYSA-N
Formula
C21H18N4O4S
Mass
422.46
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Benzofurans
-
Subclass
Benzofuranones
- Level 5 Phthalic anhydrides
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Subclass
Benzofuranones
-
Class
Benzofurans
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzofurans
Subclass
Benzofuranones
Intermediate Tree Nodes
Not available
Direct Parent
Phthalic anhydrides
Alternative Parents
Phenylbutylamines Isobenzofuranones Secondary alkylarylamines 2-amino-5-substituted-1,3,4-thiadiazoles Dicarboxylic acids and derivatives Heteroaromatic compounds Carboxylic acid anhydrides Secondary carboxylic acid amides Amino acids and derivatives Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenylbutylamine - Phthalic_anhydride - Phthalic anhydride - Isobenzofuranone - Isocoumaran - Secondary aliphatic/aromatic amine - 2-amino-5-substituted-1,3,4-thiadiazole - 2-amino-1,3,4-thiadiazole - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - Azole - Carboxylic acid anhydride - Heteroaromatic compound - Thiadiazole - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Oxacycle - Carboxylic acid derivative - Secondary amine - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phthalic anhydrides. These are compounds containing a phthalic anhydride moiety (or a derivative thereof), which consists of a benzene fused to a furan-1,3-dione.
External Descriptors
Not available