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Structure Information
Structure

Compound Identification

SMILES

[Na+].[Na+].[Na+].CC1=NN(C(=O)C1N=NC1=C(C=CC(NC2=NC(NC3=CC=CC=C3C)=NC(F)=N2)=C1)S([O-])(=O)=O)C1=CC(=C2C=CC=C(C2=C1)S([O-])(=O)=O)S([O-])(=O)=O

InChIKey

InChIKey=ZRTOSNXWFXLLCA-UHFFFAOYSA-K

Formula

C30H21FN9Na3O10S3

Mass

851.7

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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 sulfonic acid or derivatives - 1-naphthalene sulfonate - Alpha-amino acid or derivatives - Benzenesulfonate - 1-sulfo,2-unsubstituted aromatic compound - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 2,4-diamine-s-triazine - Aniline or substituted anilines - Aminotriazine - Toluene - Halo-s-triazine - Amino-1,3,5-triazine - Aryl halide - 1,3,5-triazine - Aryl fluoride - Monocyclic benzene moiety - Triazine - Pyrazolinone - Heteroaromatic compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organosulfonic acid - Pyrazoline - Amino acid or derivatives - Azo compound - Organic metal halide - Azacycle - Organic alkali metal salt - Organoheterocyclic compound - Carboxylic acid derivative - Organic 1,3-dipolar compound - Secondary amine - Propargyl-type 1,3-dipolar organic compound - Organofluoride - Organohalogen compound - Organic oxide - Carbonyl group - Organic nitrogen compound - Organic sodium salt - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic salt - Hydrocarbon derivative - Amine - 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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