Structure Information
Structure

Compound Identification

SMILES

OC(=O)C1=C(O)C(=O)N=C(N1)C1=CC=CC=C1NS(=O)(=O)C1=CC2=C(C=C1)C(Cl)=CC=C2

InChIKey

InChIKey=XCTAQXFLJOUDHW-UHFFFAOYSA-N

Formula

C21H14ClN3O6S

Mass

471.87

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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

2-naphthalene sulfonic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

2-naphthalene sulfonic acid or derivatives - Naphthalene sulfonamide - 2-naphthalene sulfonamide - Chloronaphthalene - Sulfanilide - Hydropyrimidine carboxylic acid derivative - Pyrimidine-6-carboxylic acid - Pyrimidine-6-carboxylic acid or derivatives - Hydroxypyrimidine - Pyrimidone - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Hydropyrimidine - Pyrimidine - Organosulfonic acid amide - Heteroaromatic compound - Vinylogous amide - Vinylogous acid - Aminosulfonyl compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 2-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 2-position. Naphthalene is a bicyclic compound that is made up of two fused benzene ring.

External Descriptors

Not available

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