Structure Information
Structure

Compound Identification

SMILES

[Cl-].C[C@@H](O)[C@@H]1[C@H]2[C@H]3CCCC(N4C5=CC=CC6=C(CC[N+]78CC[N+](CC(N)=O)(CC7)CC8)C=CC(=C56)S4(=O)=O)C3=C(N2C1=O)C([O-])=O

InChIKey

InChIKey=HXTNVUQFACNXIK-BXUWJZGTSA-N

Formula

C33H40ClN5O7S

Mass

686.22

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