Structure Information
Structure

Compound Identification

SMILES

CC1=NN(C(NN=C2C(=N)N(N=C2C(C)(C)C)C2=NC(=NC(N)=N2)N2N=C(C(=NNC3=C(C#N)C(C)=NN3C3=CC(=CC(=C3)C(O)=O)C(O)=O)C2=N)C(C)(C)C)=C1C#N)C1=CC(=CC(=C1)C(O)=O)C(O)=O

InChIKey

InChIKey=SXMCRSAXOJYABJ-UHFFFAOYSA-N

Formula

C43H40N20O8

Mass

964.925

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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 - Phenylpyrazole - Benzoic acid - Benzoyl - Amino-1,3,5-triazine - Aminotriazine - Triazine - Imidolactam - 1,3,5-triazine - Heteroaromatic compound - Azole - Pyrazole - Pyrazoline - Amino acid or derivatives - Amino acid - Amidine - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Hydrazone - Azacycle - Carbonitrile - Nitrile - Primary amine - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Amine - Cyanide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - 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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