Structure Information
Structure

Compound Identification

SMILES

[Na+].CC1=CC(C)=C(C=C1N\N=C1\C=C(C2=CC=CC=C2C1=O)S(O)(=O)=O)S(O)(=O)=O

InChIKey

InChIKey=ZOHVFRSANJKPJT-CRDKNBMZSA-N

Formula

C18H16N2NaO7S2

Mass

459.44

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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

Aromatic homopolycyclic compounds

Substituents

P-methylbenzenesulfonate - Naphthalene - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - M-xylene - Xylene - Aryl ketone - Phenylhydrazine - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Ketone - Hydrazone - Organic alkali metal salt - Organic nitrogen compound - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic cation - Aromatic homopolycyclic 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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