Compound Identification
SMILES
COC(=O)C1=CC=CC=C1O.CC1=CC(NS(=O)(=O)C2=CC=C(C=C2)N=NC2=CC(N=NC3=CC=C(C=C3)S(=O)(=O)NC3=NC(C)=NC(C)=C3)=C(OC(=O)C(Cl)Cl)C3=C2C(NC(=O)C(Cl)Cl)=CC=C3)=NC(C)=N1
InChIKey
InChIKey=UTZTWMHSIDNBNV-UHFFFAOYSA-N
Formula
C46H39Cl4N11O10S2
Mass
1111.81
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Benzoic acids and derivatives
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Level 5
Benzoic acid esters
- Level 6 o-Hydroxybenzoic acid esters
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Level 5
Benzoic acid esters
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Subclass
Benzoic acids and derivatives
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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
Benzoic acid esters
Direct Parent
o-Hydroxybenzoic acid esters
Alternative Parents
Salicylic acid and derivatives Phenol esters Naphthalenes Benzenesulfonamides Benzenesulfonyl compounds Benzoyl derivatives N-arylamides 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Pyrimidines and pyrimidine derivatives Organosulfonamides Imidolactams Methyl esters Aminosulfonyl compounds Alpha-halocarboxylic acid derivatives Heteroaromatic compounds Vinylogous acids Secondary carboxylic acid amides Azo compounds Monocarboxylic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxides Organochlorides Alkyl chlorides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Not available
Substituents
O-hydroxybenzoic acid ester - Salicylic acid or derivatives - Benzenesulfonamide - Naphthalene - Phenol ester - Benzenesulfonyl group - Benzoyl - N-arylamide - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Organosulfonic acid amide - Pyrimidine - Imidolactam - Vinylogous acid - Methyl ester - Heteroaromatic compound - Aminosulfonyl compound - Sulfonyl - Alpha-halocarboxylic acid or derivatives - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Alpha-halocarboxylic acid derivative - Azo compound - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Organic oxygen compound - Organohalogen compound - Organic nitrogen compound - Organochloride - Alkyl halide - Carbonyl group - Hydrocarbon derivative - Organic oxide - Alkyl chloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as o-hydroxybenzoic acid esters. These are benzoic acid esters where the benzene ring is ortho-substituted with a hydroxy group.
External Descriptors
Not available