Structure Information
Structure

Compound Identification

SMILES

[Na+].[Na+].[Na+].[O-]S(=O)(=O)C1=CC2=NN(N=C2C2=C(C=C(NC3=C(Cl)C(F)=NC(F)=N3)C=C12)S([O-])(=O)=O)C1=CC(=C(C=C1)N=NC1C(=O)NC(=O)NC1=O)S([O-])(=O)=O

InChIKey

InChIKey=APTYIBHTLARFEV-UHFFFAOYSA-K

Formula

C24H10ClF2N10Na3O12S3

Mass

869.0

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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

1-naphthalene sulfonates

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

1-naphthalene sulfonate - 1-naphthalene sulfonic acid or derivatives - Phenyl-1,2,3-triazole - Phenyltriazole - Benzenesulfonate - Alpha-amino acid or derivatives - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Benzotriazole - Barbiturate - Arylsulfonic acid or derivatives - 2-halopyrimidine - Ureide - Pyrimidone - N-acyl urea - Halopyrimidine - Aminopyrimidine - Imidolactam - 1,3-dicarbonyl compound - Pyrimidine - 1,3-diazinane - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Aryl chloride - Heteroaromatic compound - 1,2,3-triazole - Triazole - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Dicarboximide - Azole - Urea - Carbonic acid derivative - Azo compound - Amino acid or derivatives - Organic metal halide - Azacycle - Organic alkali metal salt - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Secondary amine - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic sodium salt - Organic salt - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Carbonyl group - Amine - 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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