Structure Information
Structure

Compound Identification

SMILES

C[C@H](O)C1C2SC(CN3C4=CC=CC5=C4C(=CC=C5)S3(=O)=O)=C(N2C1=O)C(=O)OCC=C

InChIKey

InChIKey=OCRLMKWXLJYCGY-KJMRSRLPSA-N

Formula

C22H20N2O6S2

Mass

472.53

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Naphthalenes

Subclass

Naphthalene sulfonic acids and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

1-naphthalene sulfonic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

1-naphthalene sulfonamide - Naphthalene sulfonamide - 1-naphthalene sulfonic acid or derivatives - Alpha-amino acid or derivatives - 1,2-benzothiazole - Penem - Thiazolecarboxylic acid or derivatives - Organosulfonic acid amide - Vinylogous thioester - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Beta-lactam - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Meta-thiazoline - Thiazole - Tertiary carboxylic acid amide - Azetidine - Carboxamide group - Carboxylic acid ester - Lactam - Secondary alcohol - Thioenolether - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Carboxylic acid derivative - Hemithioaminal - Azacycle - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Alcohol - Hydrocarbon derivative - 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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