Structure Information
Structure

Compound Identification

SMILES

CC1=CC(N\N=C2\C(=O)C3=C(C=C2SOOO)C(=C(N)C=C3)S(O)(=O)=O)=C(C=C1C)S(O)(=O)=O

InChIKey

InChIKey=VKWROZDCBAHWME-LTGZKZEYSA-N

Formula

C18H17N3O10S3

Mass

531.53

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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 - O-xylene - Xylene - Aryl ketone - Phenylhydrazine - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Ketone - Hydrazone - Sulfenyl compound - Amine - Primary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - 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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