Structure Information
Structure

Compound Identification

SMILES

[Na+].[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)OCCS(=O)(=O)C1=CC=CC(NC2=NC(NC3=C4C(=O)\C(=N/NC5=C(C6=C(C=C5)C(=CC=C6)S([O-])(=O)=O)S([O-])(=O)=O)C(=CC4=CC(=C3)S([O-])(=O)=O)S([O-])(=O)=O)=NC(Cl)=N2)=C1

InChIKey

InChIKey=NVNQRAOQGCJYDU-GWTDDJQGSA-I

Formula

C31H19ClN7Na5O19S6

Mass

1136.28

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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 - 1-sulfo,2-unsubstituted aromatic compound - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 2,4-diamine-s-triazine - Aryl ketone - Phenylhydrazine - Aniline or substituted anilines - Aminotriazine - Halo-s-triazine - Amino-1,3,5-triazine - Chloro-s-triazine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Sulfate-ester - Triazine - 1,3,5-triazine - Alkyl sulfate - Sulfuric acid ester - Sulfuric acid monoester - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organosulfonic acid - Sulfone - Vinylogous amide - Sulfonyl - Heteroaromatic compound - Organic sulfuric acid or derivatives - Ketone - Organic metal halide - Azacycle - Hydrazone - Organic alkali metal salt - Organoheterocyclic compound - Organonitrogen compound - Organochloride - Organic sodium salt - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organosulfur compound - Amine - Organic salt - 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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