Compound Identification
SMILES
CC1=CC=C(C=C1)S(O)(=O)=O.CCOP(=O)(OCC)C(N)C#N
InChIKey
InChIKey=ULDXAWHBRSOOMG-UHFFFAOYSA-N
Formula
C13H21N2O6PS
Mass
364.35
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzenesulfonic acids and derivatives
- Level 5 p-Methylbenzenesulfonates
-
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 1-sulfo,2-unsubstituted aromatic compounds Dialkyl alkylphosphonates Phosphonic acid esters Sulfonyls Organosulfonic acids Nitriles Primary amines Organophosphorus compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
P-methylbenzenesulfonate - Tosyl compound - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Dialkyl alkylphosphonate - Phosphonic acid diester - Toluene - Phosphonic acid ester - Organophosphonic acid derivative - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carbonitrile - Nitrile - Amine - Primary amine - Hydrocarbon derivative - Organosulfur compound - Organophosphorus compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Cyanide - Organic oxygen compound - Organic nitrogen 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