Compound Identification
SMILES
CC(C)(C)C1=NN(C(=N)\C1=N/NC1=NN=C(SCCSC2=NN=C(N\N=C3/C(=N)N(N=C3C(C)(C)C)C3=CC(=CC(=C3)C(O)=O)C(O)=O)S2)S1)C1=CC(=CC(=C1)C(O)=O)C(O)=O
InChIKey
InChIKey=IPRUADNKHOSHFS-ZJBIEORHSA-N
Formula
C36H36N14O8S4
Mass
921.01
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
Benzoic acids Benzoyl derivatives Alkylarylthioethers Imidolactams Thiadiazoles Pyrazolines Heteroaromatic compounds Sulfenyl compounds Hydrazones Carboxylic acids Azacyclic compounds Amidines Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Meta_phthalic_acid - Benzoic acid - Aryl thioether - Benzoyl - Alkylarylthioether - Imidolactam - Azole - Heteroaromatic compound - Pyrazoline - Thiadiazole - Amidine - Carboxylic acid derivative - Carboxylic acid - Hydrazone - Azacycle - Organoheterocyclic compound - Thioether - Sulfenyl compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Organic nitrogen compound - Organic oxygen compound - 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