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Structure Information
Structure

Compound Identification

SMILES

[Na+].[Na+].[Na+].[Na+].CC1=C(Cl)C(NC2=CC(N)=C(C=C2N=NC2=CC(=C3C=C(C=C(C3=C2)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)=NC(F)=N1

InChIKey

InChIKey=PHRNTSBRTBLANR-UHFFFAOYSA-J

Formula

C21H12ClFN6Na4O12S4

Mass

815.0

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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

2-naphthalene sulfonates

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

1-naphthalene sulfonic acid or derivatives - 2-naphthalene sulfonic acid or derivatives - 1-naphthalene sulfonate - 2-naphthalene sulfonate - Benzenesulfonate - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Benzenesulfonyl group - Aniline or substituted anilines - Aminopyrimidine - Halopyrimidine - 2-halopyrimidine - Aryl chloride - Aryl fluoride - Aryl halide - Imidolactam - Monocyclic benzene moiety - Pyrimidine - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Heteroaromatic compound - Azo compound - Organic metal halide - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Secondary amine - Azacycle - Organic alkali metal salt - Organosulfur compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Organic oxide - Organic salt - Organic oxygen compound - Primary amine - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organic sodium salt - Organic cation - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 2-naphthalene sulfonates. These are organic aromatic compounds that contain a naphthalene moiety that carries a sulfonic acid group at the 2-position. Naphthalene is a bicyclic compound that is made up of two fused benzene ring.

External Descriptors

Not available

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