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Structure Information
Structure

Compound Identification

SMILES

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=FFBJLVGMAYBWBG-UHFFFAOYSA-N

Formula

C21H16ClFN6O12S4

Mass

727.08

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