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
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Benzoic acids and derivatives
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Level 5
Phthalic acid and derivatives
- Level 6 M-phthalic acid and derivatives
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Level 5
Phthalic acid and derivatives
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Subclass
Benzoic acids and derivatives
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
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
Phenylpyrazoles Benzoic acids Benzoyl derivatives Aminotriazines 1,3,5-triazines Heteroaromatic compounds Amino acids Azo compounds Carboxylic acids Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Nitriles Organic oxides Organooxygen compounds Primary amines Hydrocarbon derivatives
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