Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=C(Cl)C=CC(NS(=O)(=O)C2=CC3=C(C=CC(NC(SC)=NC4=CC5=C(C=C4)C=CC(=C5)S(=O)(=O)NC4=CC(C(=O)OC)=C(Cl)C=C4)=C3)C=C2)=C1

InChIKey

InChIKey=AABFMMVSPCTKNP-UHFFFAOYSA-N

Formula

C38H30Cl2N4O8S3

Mass

837.76

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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 homopolycyclic compounds

Substituents

2-naphthalene sulfonamide - 2-naphthalene sulfonic acid or derivatives - Naphthalene sulfonamide - Benzoate ester - Sulfanilide - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Benzoyl - Chlorobenzene - Halobenzene - Organosulfonic acid amide - Aryl halide - Monocyclic benzene moiety - Aryl chloride - Aminosulfonyl compound - Vinylogous halide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Methyl ester - Carboxylic acid ester - Isothiourea - Sulfenyl compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic homopolycyclic 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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