Structure Information
Structure

Compound Identification

SMILES

NNC1=CC=C(NS(=O)(=O)C2=CC=CC=C2)C=C1.OS(=O)(=O)C1=CC=CC2=C1C=CC=C2S(O)(=O)=O

InChIKey

InChIKey=KEGWIEYXYOKIBO-UHFFFAOYSA-N

Formula

C22H21N3O8S3

Mass

551.6

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Naphthalenes

Subclass

Naphthalene sulfonic acids and derivatives

Intermediate Tree Nodes

Naphthalene sulfonates

Direct Parent

1-naphthalene sulfonates

Alternative Parents

Molecular Framework

Not available

Substituents

1-naphthalene sulfonate - 1-naphthalene sulfonic acid or derivatives - Benzenesulfonamide - Sulfanilide - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Phenylhydrazine - Monocyclic benzene moiety - Organosulfonic acid amide - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organonitrogen compound - Hydrazine derivative - Organic oxygen compound - Aromatic homopolycyclic compound

Description

This compound belongs to the class of organic compounds known as 1-naphthalene sulfonates. These are organic aromatic compounds that contain a naphthalene moiety that carries a sulfonic acid group at the 1-position. Naphthalene is a bicyclic compound that is made up of two fused benzene ring.

External Descriptors

Not available

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