Structure Information
Structure

Compound Identification

SMILES

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

InChIKey

InChIKey=YQDTXVHSLDVTBH-QPPTVEMYSA-N

Formula

C29H34ClN5O7S2

Mass

664.19

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