Structure Information
Structure

Compound Identification

SMILES

[K].CC1(C)\C(=C/C=C/C=C\C2=[N+](CC(=O)NS(C)(=O)=O)C3=C(C4=C(C=C3)C=C(C=C4)S(O)(=O)=O)C2(C)C)N(CCCCCC(=O)ON2C(=O)CCC2=O)C2=C1C1=C(C=C2)C=C(C=C1)S(O)(=O)=O

InChIKey

InChIKey=KNFRVATWZIYTNV-UHFFFAOYSA-O

Formula

C46H49KN4O13S3

Mass

1001.19

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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 sulfonic acid or derivatives - 2-naphthalene sulfonate - Alpha-amino acid or derivatives - 3-alkylindole - Arylsulfonic acid or derivatives - Indole or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Tertiary aliphatic/aromatic amine - Pyrrolidone - 2-pyrrolidone - Dicarboximide - Pyrrolidine - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Aminosulfonyl compound - Amino acid or derivatives - Tertiary amine - Lactam - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Enamine - Monocarboxylic acid or derivatives - Organic alkali metal salt - Hydrocarbon derivative - Amine - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Organic cation - 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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