Compound Identification
SMILES
CC1=CC=C(C=C1)S(=O)(=O)C(=CC1=CC=C(O)C=C1)C#N
InChIKey
InChIKey=LRLJHHJSEFVXIG-UHFFFAOYSA-N
Formula
C16H13NO3S
Mass
299.34
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Toluenes
- Level 5 Tosyl compounds
-
Subclass
Toluenes
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Toluenes
Intermediate Tree Nodes
Not available
Direct Parent
Tosyl compounds
Alternative Parents
Benzenesulfonyl compounds 1-hydroxy-2-unsubstituted benzenoids Sulfones Nitriles Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Tosyl compound - Benzenesulfonyl group - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Sulfone - Sulfonyl - Carbonitrile - Nitrile - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Cyanide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as tosyl compounds. These are organosulfur compounds containing a tosyl group, with the general formula CH3C6H4S(O2)R (R = any atom).
External Descriptors
Not available