Compound Identification
SMILES
CC1=CC=C(C=C1)S(O)(=O)=O.COP(=O)(OC)C(N)C1=CC=CC=C1
InChIKey
InChIKey=IJZBQWXFFWZMCM-UHFFFAOYSA-N
Formula
C16H22NO6PS
Mass
387.39
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 1-sulfo,2-unsubstituted aromatic compounds Dialkyl alkylphosphonates Phosphonic acid esters Sulfonyls Organosulfonic acids 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 - Toluene - Phosphonic acid diester - Phosphonic acid ester - Organophosphonic acid derivative - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Primary amine - Organic oxygen compound - Organosulfur compound - Organophosphorus compound - Organooxygen compound - Organic nitrogen compound - Amine - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - 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