Compound Identification
SMILES
OC(=O)C1=CC=C(C=C1)C(O)=O.CCCCCCCCCCCCN=C(N)N.CCCCCCCCCCCCN=C(N)N
InChIKey
InChIKey=PHXJHTRGDGMVKR-UHFFFAOYSA-N
Formula
C34H64N6O4
Mass
620.924
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
Benzoic acids Benzoyl derivatives Guanidines Propargyl-type 1,3-dipolar organic compounds Carboxylic acids Carboximidamides Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Para_phthalic_acid - Benzoic acid - Benzoyl - Guanidine - Carboxylic acid derivative - Carboxylic acid - Carboximidamide - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organonitrogen compound - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen 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