Compound Identification
SMILES
COC(=O)C1=C(OS(=O)(=O)C2=C(Cl)C=CC(Cl)=C2)C=CC(I)=C1
InChIKey
InChIKey=PYVAJQNLICTLIS-UHFFFAOYSA-N
Formula
C14H9Cl2IO5S
Mass
487.09
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
Benzenesulfonic acids and derivatives
- Level 5 Benzenesulfonate esters
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Subclass
Benzenesulfonic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzenesulfonic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Benzenesulfonate esters
Alternative Parents
3-halobenzoic acids and derivatives Benzoic acid esters Arylsulfonic acids and derivatives Benzenesulfonyl compounds Phenoxy compounds Benzoyl derivatives Dichlorobenzenes Iodobenzenes Organosulfonic acid esters Aryl iodides Aryl chlorides Methyl esters Sulfonyls Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organochlorides Organoiodides Organooxygen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzenesulfonate ester - Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Benzoate ester - Benzenesulfonyl group - Benzoic acid or derivatives - Arylsulfonic acid or derivatives - Phenoxy compound - 1,4-dichlorobenzene - Benzoyl - Halobenzene - Iodobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Aryl iodide - Organosulfonic acid ester - Sulfonyl - Methyl ester - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organochloride - Organoiodide - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzenesulfonate esters. These are arenesulfonate esters that result from the formal condensation of the hydroxy group of an alcohol, enol, phenol or heteroarenol with benzenesulfonic acid.
External Descriptors
Not available