Structure Information
Structure

Compound Identification

SMILES

OC(=O)C1=CC(=CC(=C1)C(O)=O)C1=CC=C(S1)C1=CC2=NC(COCCOCC3=CC(=CC(COCCOC2)=N3)C2=CC=C(S2)C2=CC(=CC(=C2)C(O)=O)C(O)=O)=C1

InChIKey

InChIKey=MVRDQQRWIHKWPG-UHFFFAOYSA-N

Formula

C42H34N2O12S2

Mass

822.86

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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 heteropolycyclic compounds

Substituents

Meta_phthalic_acid - Benzoic acid - Benzoyl - 2,5-disubstituted thiophene - Pyridine - Heteroaromatic compound - Thiophene - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic 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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