Compound Identification
SMILES
[O-]C(=O)CCNC1=C(C=CC(=C1)C([O-])=O)C([O-])=O
InChIKey
InChIKey=RUVSKZCXQIRTEC-UHFFFAOYSA-K
Formula
C11H8NO6
Mass
250.188
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
Beta amino acids and derivatives Aminobenzoic acids Benzoic acids Phenylalkylamines Aniline and substituted anilines Benzoyl derivatives Secondary alkylarylamines Vinylogous amides Amino acids Carboxylic acid salts Monocarboxylic acids and derivatives Carboxylic acids Hydrocarbon derivatives Organic oxides Carbonyl compounds Organic anions
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Para_phthalic_acid - Beta amino acid or derivatives - Aminobenzoic acid - Aminobenzoic acid or derivatives - Benzoic acid - Benzoyl - Phenylalkylamine - Aniline or substituted anilines - Secondary aliphatic/aromatic amine - Vinylogous amide - Amino acid or derivatives - Amino acid - Carboxylic acid salt - Secondary amine - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carboxylic acid - Amine - Organic nitrogen compound - Organonitrogen compound - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Organic oxygen compound - Organic anion - 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