Structure Information
Structure

Compound Identification

SMILES

CC(C)C(NS(=O)(=O)C1=CC=CC2=CC=CC=C12)C1=NOC(CC2=CC=CC=C2)(C1)C(=O)N[C@@H](CC(O)=O)C(=O)COC(=O)C1=C(Cl)C=CC=C1Cl

InChIKey

InChIKey=GMZLJEYNFLVOQR-GBSOHSSOSA-N

Formula

C37H35Cl2N3O9S

Mass

768.66

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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 - Delta amino acid or derivatives - Beta amino acid or derivatives - Benzoate ester - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Gamma-keto acid - 1,3-dichlorobenzene - Benzoyl - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Keto acid - Fatty amide - Monosaccharide - Monocyclic benzene moiety - Fatty acyl - Organosulfonic acid amide - Vinylogous halide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Isoxazoline - Sulfonyl - Aminosulfonyl compound - Carboxylic acid ester - Ketone - Carboxamide group - Oxime ether - Secondary carboxylic acid amide - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxide - Organosulfur compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - 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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