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Structure Information
Structure

Compound Identification

SMILES

[Na+].[Na+].[Na+].NC1=C(N=NC2=C(C=CC(NC3=C(C=CC(NC4=C(Cl)C(F)=NC(F)=N4)=C3)S([O-])(=O)=O)=C2)S([O-])(=O)=O)C2=C(C=C1)C(=CC=C2)S([O-])(=O)=O

InChIKey

InChIKey=CQZKCYGIFGZYRT-UHFFFAOYSA-K

Formula

C26H15ClF2N7Na3O9S3

Mass

808.04

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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

Aromatic heteropolycyclic compounds

Substituents

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