Structure Information
Structure

Compound Identification

SMILES

CCC1=CC=CC=C1N1C(=S)NC(=O)C(=CC2=C(C)N(C(C)=C2)C2=CC(=CC(=C2)C(O)=O)C(O)=O)C1=O

InChIKey

InChIKey=MMQRSFFSKMGAMF-UHFFFAOYSA-N

Formula

C27H23N3O6S

Mass

517.56

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzoic acids and derivatives

Intermediate Tree Nodes

Phthalic acid and derivatives

Direct Parent

M-phthalic acid and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Meta_phthalic_acid - 1-phenylpyrrole - N-phenylthiourea - Benzoic acid - Thiobarbiturate - Benzoyl - 1,3-diazinane - Substituted pyrrole - Pyrrole - Heteroaromatic compound - Thiourea - Azacycle - Carboxylic acid - Carboxylic acid derivative - Organoheterocyclic compound - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as m-phthalic acid and derivatives. These are aromatic compounds containing a benzene ring bearing a carboxylic acid group at ring carbon atoms 1 and 2.

External Descriptors

Not available

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