Compound Identification
SMILES
CC(CC1=CC=C(S1)C(=O)OC1=C(Cl)C=C(C=C1)C(N)=N)C(=O)NCP(O)(O)=O
InChIKey
InChIKey=AAVSQDISOQOCQY-UHFFFAOYSA-N
Formula
C17H19ClN3O6PS
Mass
459.84
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
- Class Phenol esters
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenol esters
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Phenol esters
Alternative Parents
Thiophene carboxylic acids and derivatives Phenoxy compounds 2,5-disubstituted thiophenes Chlorobenzenes Aryl chlorides Fatty amides Organic phosphonic acids Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acid esters Carboxamidines Carboximidamides Organochlorides Organophosphorus compounds Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenol ester - Phenoxy compound - Thiophene carboxylic acid or derivatives - Halobenzene - Chlorobenzene - 2,5-disubstituted thiophene - Fatty acyl - Aryl halide - Aryl chloride - Fatty amide - Monocyclic benzene moiety - Organophosphonic acid derivative - Organophosphonic acid - Thiophene - Heteroaromatic compound - Carboxylic acid ester - Secondary carboxylic acid amide - Carboxamide group - Amidine - Carboxylic acid amidine - Carboxylic acid derivative - Organoheterocyclic compound - Carboximidamide - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organophosphorus compound - Organooxygen compound - Organohalogen compound - Organonitrogen compound - Organochloride - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenol esters. These are aromatic compounds containing a benzene ring substituted by a hydroxyl group and an ester group.
External Descriptors
Not available