Compound Identification
SMILES
OC1=C(C=CC(NS(=O)(=O)C2=CC=CS2)=C1)C(=O)OCC(=O)NC1=NC=C(S1)[N+]([O-])=O
InChIKey
InChIKey=BDWRHJIHAWSJMS-UHFFFAOYSA-N
Formula
C16H12N4O8S3
Mass
484.47
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 Benzoyl derivatives Nitrothiazoles Nitroaromatic compounds N-arylamides 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 2,5-disubstituted thiazoles Organosulfonamides Vinylogous acids Thiophenes Aminosulfonyl compounds Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organic salts Organic zwitterions Organic oxides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
O-hydroxybenzoic acid ester - Sulfanilide - Salicylic acid or derivatives - Nitroaromatic compound - N-arylamide - Benzoyl - Nitrothiazole - 2,5-disubstituted 1,3-thiazole - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Organosulfonic acid amide - Vinylogous acid - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Thiophene - Sulfonyl - Thiazole - Azole - Aminosulfonyl compound - Heteroaromatic compound - Carboxamide group - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Secondary carboxylic acid amide - Organoheterocyclic compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Azacycle - Organic 1,3-dipolar compound - Carboxylic acid derivative - Organic oxoazanium - Organic zwitterion - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Organic salt - Organosulfur compound - Organic oxide - Carbonyl group - 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