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Structure Information
Structure

Compound Identification

SMILES

[Na+].[Na+].[Na+].NC1=C(N=NC2=C(C=C(C=C2)S(=O)(=O)CCOS([O-])(=O)=O)S([O-])(=O)=O)C2=C(C=C1)C(=CC=C2)S([O-])(=O)=O

InChIKey

InChIKey=NBVCGFDCTVVPMH-UHFFFAOYSA-K

Formula

C18H14N3Na3O12S4

Mass

661.53

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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 homopolycyclic compounds

Substituents

1-naphthalene sulfonic acid or derivatives - 1-naphthalene sulfonate - Benzenesulfonate - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Sulfate-ester - Monocyclic benzene moiety - Alkyl sulfate - Sulfuric acid ester - Sulfuric acid monoester - Organic sulfuric acid or derivatives - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Sulfone - Azo compound - Organic alkali metal salt - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic salt - Organic sodium salt - Amine - Primary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organic cation - Aromatic homopolycyclic 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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