Compound Identification
SMILES
Cc1ccc(cc1)S([O-])(=O)=O.CC(C)(C)c1ccc([I+]c2ccc(cc2)C(C)(C)C)cc1
InChIKey
InChIKey=UEJFJTOGXLEPIV-UHFFFAOYSA-M
Formula
C27H33IO3S
Mass
564.52
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 Phenylpropanes Benzenesulfonyl compounds 1-sulfo,2-unsubstituted aromatic compounds Iodobenzenes Aryl iodides Sulfonyls Organosulfonic acids Organoiodides Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
P-methylbenzenesulfonate - Tosyl compound - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Phenylpropane - Arylsulfonic acid or derivatives - Toluene - Iodobenzene - Halobenzene - Aryl iodide - Aryl halide - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organosulfur compound - Organoiodide - Organohalogen 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