Compound Identification
SMILES
COC1=CC=CC=C1NS(=O)(=O)C1=CC=CC(=C1)C(=O)OCC(=O)NC1=CC=C(I)C=C1
InChIKey
InChIKey=PWNCQPAGYVRPML-UHFFFAOYSA-N
Formula
C22H19IN2O6S
Mass
566.37
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
- 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
Not available
Direct Parent
Benzoic acid esters
Alternative Parents
Benzenesulfonamides Anilides Phenoxy compounds N-arylamides Methoxybenzenes Benzoyl derivatives Anisoles Iodobenzenes Fatty acid esters Alkyl aryl ethers Sulfonyls Organosulfonic acids and derivatives Enoate esters Vinyl iodides Monocarboxylic acids and derivatives Iodoalkenes Carboxylic acid amides Organopnictogen compounds Organoiodides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzoate ester - Benzenesulfonamide - Anilide - Phenoxy compound - Methoxybenzene - N-arylamide - Phenol ether - Benzoyl - Anisole - Iodobenzene - Halobenzene - Fatty acid ester - Alkyl aryl ether - Fatty acyl - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxylic acid ester - Carboxamide group - Iodoalkene - Haloalkene - Vinyl iodide - Vinyl halide - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organoiodide - Organohalogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
External Descriptors
Not available