Structure Information
Structure

Compound Identification

SMILES

CC1=CC=C(C=C1)S(O)(=O)=O.COC1=C(O)C=C(C=NN=C(N)NO)C=C1

InChIKey

InChIKey=YNXZNJZUTSAYBH-UHFFFAOYSA-N

Formula

C16H20N4O6S

Mass

396.42

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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 - Methoxyphenol - Tosyl compound - 1-sulfo,2-unsubstituted aromatic compound - Benzenesulfonyl group - Arylsulfonic acid or derivatives - Methoxybenzene - Phenoxy compound - Phenol ether - Anisole - 1-hydroxy-4-unsubstituted benzenoid - Alkyl aryl ether - Toluene - Phenol - 1-hydroxy-2-unsubstituted benzenoid - N-hydroxyguanidine - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Guanidine - Ether - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic oxygen 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

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