Compound Identification
SMILES
[NH3+]CC1=CC(C[NH3+])=CC=C1.[O-]C(=O)C1=CC(=CC=C1)C([O-])=O
InChIKey
InChIKey=JTAPSEIZSSQPBE-UHFFFAOYSA-N
Formula
C16H18N2O4
Mass
302.33
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
Benzoic acids Phenylmethylamines Benzylamines Benzoyl derivatives Aralkylamines Quaternary ammonium salts Carboxylic acid salts Carboxylic acids Organopnictogen compounds Organooxygen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Organic cations
Molecular Framework
Not available
Substituents
Meta_phthalic_acid - Benzoic acid - Benzoyl - Benzylamine - Phenylmethylamine - Aralkylamine - Quaternary ammonium salt - Carboxylic acid salt - Carboxylic acid derivative - Carboxylic acid - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Hydrocarbon derivative - Organic oxide - Amine - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Primary amine - Organic cation - Aromatic homomonocyclic 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