Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

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

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

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