Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)CNC1=C(N=C2C=CC(Cl)=CN12)C1=CC(OS(=O)(=O)C2=CC=CC3=CC=CC=C23)=CC=C1

InChIKey

InChIKey=IRARIPSFUWMGPA-UHFFFAOYSA-N

Formula

C27H22ClN3O5S

Mass

536.0

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Naphthalenes

Subclass

Naphthalene sulfonic acids and derivatives

Intermediate Tree Nodes

Naphthalene sulfonates

Direct Parent

1-naphthalene sulfonates

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

1-naphthalene sulfonic acid or derivatives - 1-naphthalene sulfonate - Alpha-amino acid ester - 4-phenylimidazole - 5-phenylimidazole - Alpha-amino acid or derivatives - Imidazo[1,2-a]pyridine - Imidazopyridine - Arylsulfonic acid or derivatives - Phenoxy compound - Monocyclic benzene moiety - N-substituted imidazole - Organosulfonic acid ester - Aryl halide - Aryl chloride - Pyridine - Aminoimidazole - Imidazole - Heteroaromatic compound - Azole - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxylic acid ester - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organohalogen compound - Carbonyl group - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 1-naphthalene sulfonates. These are organic aromatic compounds that contain a naphthalene moiety that carries a sulfonic acid group 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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