Structure Information
Structure

Compound Identification

SMILES

CSC1=NN(C(NN=C2C(=N)N(N=C2C(C)(C)C)C2=NC(=O)N=C(N2)N2N=C(C(=NNC3=C(C#N)C(SC)=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=PTOXROGRPVVAGA-UHFFFAOYSA-N

Formula

C43H39N19O9S2

Mass

1030.03

Export to:

JSON SDF CSV

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 - Aryl thioether - Benzoyl - Amino-1,3,5-triazine - Triazinone - Alkylarylthioether - Triazine - 1,3,5-triazine - Imidolactam - Azole - Pyrazole - Pyrazoline - Heteroaromatic compound - Thioether - Organoheterocyclic compound - Sulfenyl compound - Azacycle - Amidine - Carboxylic acid derivative - Carboxylic acid - Nitrile - Carbonitrile - Hydrazone - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Cyanide - Organic oxygen compound - Organosulfur 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

Previous Back Next