Compound Identification
SMILES
COC(=O)C1=CC=CC=C1O.ClC(Cl)C(=O)NC1=CC=CC2=C1C(=CC(N=NC1=CC=C(C=C1)S(=O)(=O)NC1=NC=CS1)=C2OC(=O)C(Cl)Cl)N=NC1=CC=C(C=C1)S(=O)(=O)NC1=NC=CS1
InChIKey
InChIKey=FMQBEABZOMCHGQ-UHFFFAOYSA-N
Formula
C40H29Cl4N9O10S4
Mass
1065.77
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
Benzenesulfonamides Salicylic acid and derivatives Phenol esters Naphthalenes Benzenesulfonyl compounds Benzoyl derivatives N-arylamides 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Organosulfonamides Vinylogous acids Thiazoles Alpha-halocarboxylic acid derivatives Aminosulfonyl compounds Heteroaromatic compounds Methyl esters Secondary carboxylic acid amides Azo compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Monocarboxylic acids and derivatives Organochlorides Carbonyl compounds Alkyl chlorides Hydrocarbon derivatives Organic oxides
Molecular Framework
Not available
Substituents
O-hydroxybenzoic acid ester - Salicylic acid or derivatives - Benzenesulfonamide - Naphthalene - Phenol ester - Benzenesulfonyl group - N-arylamide - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Organosulfonic acid amide - Vinylogous acid - Heteroaromatic compound - Methyl ester - Azole - Aminosulfonyl compound - Thiazole - 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 - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Alkyl halide - Carbonyl group - Organochloride - Hydrocarbon derivative - Organic oxide - Alkyl chloride - Organosulfur compound - Organonitrogen compound - Organooxygen 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