Compound Identification
SMILES
CC1=CC=C(C=C1)S(=O)(=O)OC1=C(I)C=C(Cl)C2=C1N=CC=C2
InChIKey
InChIKey=WDVVUGFLBIKIRB-UHFFFAOYSA-N
Formula
C16H11ClINO3S
Mass
459.68
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
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
p-Methylbenzenesulfonates Chloroquinolines Tosyl compounds Arylsulfonic acids and derivatives Benzenesulfonyl compounds Pyridines and derivatives Organosulfonic acid esters Aryl chlorides Aryl iodides Sulfonyls Heteroaromatic compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organoiodides Organonitrogen compounds Organooxygen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
P-methylbenzenesulfonate - Haloquinoline - Benzenesulfonate ester - Chloroquinoline - Quinoline - Tosyl compound - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Toluene - Pyridine - Aryl iodide - Aryl halide - Aryl chloride - Organosulfonic acid ester - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organoiodide - Organochloride - Organohalogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic 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