Structure Information
Structure

Compound Identification

SMILES

[Na+].C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(CN3C4=CC=CC5=C4C(=CC=C5)S3(=O)=O)=C(N2C1=O)C([O-])=O

InChIKey

InChIKey=JUIMFYRDJBEJNL-HJOKIUIXSA-M

Formula

C21H19N2NaO6S

Mass

450.44

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Naphthalenes

Subclass

Naphthalene sulfonic acids and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

1-naphthalene sulfonic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

1-naphthalene sulfonic acid or derivatives - Naphthalene sulfonamide - 1-naphthalene sulfonamide - Carbapenem - Alpha-amino acid or derivatives - 1,2-benzothiazole - Pyrroline carboxylic acid - Pyrroline carboxylic acid or derivatives - Azepine - Organosulfonic acid amide - Beta-lactam - Pyrroline - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Tertiary carboxylic acid amide - Azetidine - Carboxamide group - Carboxylic acid salt - Lactam - Secondary alcohol - Organic alkali metal salt - Organoheterocyclic compound - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Organic zwitterion - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic sodium salt - Organooxygen compound - Alcohol - Organic salt - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 1-naphthalene sulfonic acids and derivatives. These are organic aromatic compounds that contain a naphthalene moiety that carries a sulfonic acid group (or a derivative thereof) 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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