Structure Information
Structure

Compound Identification

SMILES

[Cl-].C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(CN3C4=CC=CC5=C(C[N+]67CC[N+](CC6)(CC7)C#CCO)C=CC(=C45)S3(=O)=O)=C(N2C1=O)C([O-])=O

InChIKey

InChIKey=MHTIOKCDHRATQL-PRFUMLIRSA-M

Formula

C31H35ClN4O7S

Mass

643.15

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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 - Carbapenem - Alpha-amino acid or derivatives - 1,2-benzothiazole - Pyrroline carboxylic acid - Pyrroline carboxylic acid or derivatives - N-alkylpiperazine - Aralkylamine - Azepine - 1,4-diazinane - Piperazine - Organosulfonic acid amide - Tetraalkylammonium salt - Beta-lactam - Pyrroline - Quaternary ammonium salt - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Tertiary carboxylic acid amide - Azetidine - Carboxamide group - Secondary alcohol - Carboxylic acid salt - Lactam - Azacycle - Carboxylic acid - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organoheterocyclic compound - Organic chloride salt - Organonitrogen compound - Organooxygen compound - Primary alcohol - Alcohol - Carbonyl group - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic zwitterion - Amine - Organic salt - 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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