Structure Information
Structure

Compound Identification

SMILES

CC(C)(C)C1=NN(C(N)=C1N=NC1=C(C#N)C(=NN1C1=CC(=CC(=C1)C(O)=O)C(O)=O)C1=CC=CC=C1)C1=NC(=NC(O)=N1)N1N=C(C(N=NC2=C(C#N)C(=NN2C2=CC(=CC(=C2)C(O)=O)C(O)=O)C2=CC=CC=C2)=C1N)C(C)(C)C

InChIKey

InChIKey=PZQYCYVUSJVPCB-UHFFFAOYSA-N

Formula

C53H43N19O9

Mass

1090.051

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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 - Triazine - 1,3,5-triazine - Pyrazole - Azole - Heteroaromatic compound - Amino acid - Azo compound - Amino acid or derivatives - Azacycle - Carbonitrile - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid - Carboxylic acid derivative - Nitrile - Organic oxide - Organic oxygen compound - Organonitrogen compound - Amine - Organic nitrogen compound - Organooxygen compound - Cyanide - Primary amine - 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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