Compound Identification
SMILES
COC(=O)C1=C(O)C=C(C=C1)S(=O)(=O)N1CC(=O)CCC(CC2=C(OC)C=CC(Cl)=C2)C1=O
InChIKey
InChIKey=ORKTYICZOJPIMX-UHFFFAOYSA-N
Formula
C22H22ClNO8S
Mass
495.93
Taxonomic Classification
Taxonomy Tree
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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 Benzenesulfonyl compounds Phenoxy compounds Benzoyl derivatives Methoxybenzenes Anisoles Caprolactams Azepanes 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Chlorobenzenes Aryl chlorides Methyl esters Organosulfonic acids and derivatives Sulfonyls Vinylogous acids Cyclic ketones Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
O-hydroxybenzoic acid ester - Salicylic acid or derivatives - Benzenesulfonamide - Benzenesulfonyl group - Phenoxy compound - Phenol ether - Benzoyl - Anisole - Caprolactam - Methoxybenzene - Azepane - Chlorobenzene - Halobenzene - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Alkyl aryl ether - Aryl chloride - Aryl halide - Sulfonyl - Methyl ester - Vinylogous acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Cyclic ketone - Carboxylic acid ester - Lactam - Ketone - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Carbonyl group - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organic oxide - Organohalogen compound - Aromatic heteromonocyclic 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