Compound Identification
SMILES
CC1=CC=C(C=C1)S(=O)(=O)O[I](C#CC1=CC=CC=C1)C1=CC=CC=C1
InChIKey
InChIKey=DWIJRFFJRQAGSK-UHFFFAOYSA-N
Formula
C21H17IO3S
Mass
476.33
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzenesulfonic acids and derivatives
- Level 5 p-Methylbenzenesulfonates
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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
p-Methylbenzenesulfonates
Alternative Parents
Tosyl compounds Benzenesulfonyl compounds Arylsulfonic acids and derivatives Iodobenzenes Aryl iodides Sulfonyls Haloacetylenes and derivatives Organoiodides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
P-methylbenzenesulfonate - Tosyl compound - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Halobenzene - Toluene - Iodobenzene - Aryl halide - Aryl iodide - Sulfonyl - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Haloacetylene or derivatives - Organoiodide - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organic oxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as p-methylbenzenesulfonates. These are benzenesulfonic acids (or derivative thereof) carrying a methyl group at the para- position.
External Descriptors
Not available