Compound Identification
SMILES
C\C(=N/NC1=NC2=CC=CC=C2S1)C1=CC=C(O1)C1=CC(=CC(=C1)C(O)=O)C(O)=O
InChIKey
InChIKey=QVOOHFQRBQONRK-FOKLQQMPSA-N
Formula
C21H15N3O5S
Mass
421.43
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
-
Level 5
Phthalic acid and derivatives
- Level 6 M-phthalic acid and derivatives
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Level 5
Phthalic acid and derivatives
-
Subclass
Benzoic acids and derivatives
-
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
Benzothiazoles Benzoic acids Benzoyl derivatives Thiazoles Heteroaromatic compounds Furans Oxacyclic compounds Hydrazones Carboxylic acids Azacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Meta_phthalic_acid - Benzoic acid - 1,3-benzothiazole - Benzoyl - Azole - Heteroaromatic compound - Furan - Thiazole - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Hydrazone - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic 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