Structure Information
Structure

Compound Identification

SMILES

[Li+].[Na+].Cc1ccc(Nc2nc(Cl)nc(Nc3cc(cc4cc(c(N=Nc5cc(C)c(C)cc5S(O)(=O)=O)c(O)c34)S([O-])(=O)=O)S([O-])(=O)=O)n2)c(c1)S(O)(=O)=O

InChIKey

InChIKey=PTGAODIWJYTJJD-UHFFFAOYSA-L

Formula

C28H22ClLiN7NaO13S4

Mass

858.14

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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

2-naphthalene sulfonate - 2-naphthalene sulfonic acid or derivatives - P-methylbenzenesulfonate - 1-naphthol - Benzenesulfonate - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Arylsulfonic acid or derivatives - 2,4-diamine-s-triazine - O-xylene - Xylene - Aniline or substituted anilines - Chloro-s-triazine - 1-hydroxy-4-unsubstituted benzenoid - Halo-s-triazine - Toluene - Aminotriazine - Amino-1,3,5-triazine - 1,3,5-triazine - Triazine - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Heteroaromatic compound - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Azo compound - Organic metal halide - Organic lithium salt - Azacycle - Organic alkali metal salt - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Secondary amine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic sodium salt - Organic salt - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - 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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