Compound Identification
SMILES
COC(=O)C1=C(O)C=C(NS(=O)(=O)C2=C(Br)C=C(Br)S2)C=C1
InChIKey
InChIKey=MYVLNVMGASOHRD-UHFFFAOYSA-N
Formula
C12H9Br2NO5S2
Mass
471.13
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
Sulfanilides Salicylic acid and derivatives 2,3,5-trisubstituted thiophenes Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Organosulfonamides Aryl bromides Vinylogous acids Aminosulfonyl compounds Heteroaromatic compounds Methyl esters Organobromides Organic oxides Organonitrogen compounds Hydrocarbon derivatives Organooxygen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
O-hydroxybenzoic acid ester - Salicylic acid or derivatives - Sulfanilide - Benzoyl - 2,3,5-trisubstituted thiophene - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Aryl bromide - Aryl halide - Organosulfonic acid amide - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Vinylogous acid - Sulfonyl - Thiophene - Aminosulfonyl compound - Methyl ester - Carboxylic acid ester - Organoheterocyclic compound - Carboxylic acid derivative - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Organohalogen compound - Organobromide - 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