Compound Identification
SMILES
COC1=CC=CC=C1NC1=CC(C(O)=O)=C(NC2=CC=CC=C2OC)C=C1C(O)=O
InChIKey
InChIKey=PUEJFZUNQRZHSK-UHFFFAOYSA-N
Formula
C22H20N2O6
Mass
408.41
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 P-phthalic acid and derivatives
-
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
P-phthalic acid and derivatives
Alternative Parents
Aminobenzoic acids Aminophenyl ethers Benzoic acids Methoxyanilines Anisoles Benzoyl derivatives Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Primary aromatic amines Vinylogous amides Amino acids Carboxylic acids Secondary amines Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Para_phthalic_acid - Aminobenzoic acid - Aminobenzoic acid or derivatives - Benzoic acid - Aminophenyl ether - Methoxyaniline - Phenoxy compound - Methoxybenzene - Anisole - Aniline or substituted anilines - Benzoyl - Phenol ether - Alkyl aryl ether - Primary aromatic amine - Vinylogous amide - Amino acid or derivatives - Amino acid - Ether - Carboxylic acid - Carboxylic acid derivative - Secondary amine - Amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as p-phthalic acid and derivatives. These are compounds containing a benzene ring bearing a carboxylic acid group at ring carbon atoms 1 and 4.
External Descriptors
Not available