Compound Identification
SMILES
COC(=O)C1=CC(=CC(NS(=O)(=O)C2=CC(N3C(=O)C4=C(C=C(C=C4)C(O)=O)C3=O)=C(Cl)C=C2)=C1)C(=O)OC
InChIKey
InChIKey=NEGVXHYEEPOTQO-UHFFFAOYSA-N
Formula
C25H17ClN2O10S
Mass
572.93
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 m-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
m-Phthalate esters
Alternative Parents
M-phthalic acid and derivatives Phthalimides Sulfanilides Benzenesulfonamides Benzoic acid esters Benzenesulfonyl compounds Isoindoles Benzoyl derivatives Chlorobenzenes N-substituted carboxylic acid imides Aryl chlorides Organosulfonamides Methyl esters Aminosulfonyl compounds Carboxylic acids Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives Organooxygen compounds Organic oxides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Meta-phthalic acid ester - Meta_phthalic_acid - Phthalimide - Isoindolone - Benzenesulfonamide - Benzoate ester - Sulfanilide - Isoindole or derivatives - Benzenesulfonyl group - Isoindole - Isoindoline - Benzoyl - Halobenzene - Chlorobenzene - Aryl halide - Aryl chloride - Carboxylic acid imide, n-substituted - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Sulfonyl - Carboxylic acid imide - Aminosulfonyl compound - Methyl ester - Organosulfonic acid or derivatives - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Carboxylic acid - Organic oxide - Organosulfur compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as m-phthalate esters. These are ester derivatives of m-phthalic acids, which are based on a benzene 1,3-dicarboxylic acid skeleton.
External Descriptors
Not available