Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzofurans

Subclass

Benzofuranones

Intermediate Tree Nodes

Not available

Direct Parent

Phthalic anhydrides

Alternative Parents

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

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