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
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 Triazinones Alkylarylthioethers Aminotriazines 1,3,5-triazines Imidolactams Pyrazolines Heteroaromatic compounds Sulfenyl compounds Amidines Azacyclic compounds Hydrazones Carboxylic acids Nitriles Hydrocarbon derivatives Organooxygen compounds Organic oxides
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