Compound Identification
SMILES
CCOC(=O)C1=CC(NNC2=C3C(=O)C=C(C=C3C=CC2=N)S(O)(=O)=O)=C(C=C1)C(=O)OCC
InChIKey
InChIKey=XFRVUKSSVOTIPI-UHFFFAOYSA-N
Formula
C22H21N3O8S
Mass
487.48
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
Phthalate esters
- Level 7 p-Phthalate esters
-
Level 6
Phthalate esters
-
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 - Phthalate esters
Direct Parent
p-Phthalate esters
Alternative Parents
P-phthalic acid and derivatives Benzoic acid esters Phenylhydrazines Benzoyl derivatives Vinylogous amides Sulfonyls Organosulfonic acids Ketones Ketimines Carboxylic acid esters Organic oxides Hydrocarbon derivatives Hydrazines and derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Para-phthalic acid ester - Para_phthalic_acid - Benzoate ester - Benzoyl - Phenylhydrazine - Vinylogous amide - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxylic acid ester - Ketimine - Ketone - Carboxylic acid derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Imine - Hydrazine derivative - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as p-phthalate esters. These are ester derivatives of p-phthalic acids, which are based on a benzene 1,4-dicarboxylic acid skeleton.
External Descriptors
Not available