Structure Information
Structure

Compound Identification

SMILES

C[C@H]([O-])C1C2SC(CN3C4=CC=CC5=C(CC[N+]67CC[N+](CCCSC8=CC=CC=C8)(CC6)CC7)C=CC(=C45)S3(=O)=O)=C(N2C1=O)C([O-])=O

InChIKey

InChIKey=AZACHTBBKWDCTE-NHMODCAESA-N

Formula

C36H40N4O6S3

Mass

720.92

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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 or derivatives - 1,2-benzothiazole - Phenethylamine - Aryl thioether - Thiazolecarboxylic acid or derivatives - Thiophenol ether - Penem - N-alkylpiperazine - Aralkylamine - Alkylarylthioether - Monocyclic benzene moiety - Organosulfonic acid amide - 1,4-diazinane - Vinylogous thioester - Piperazine - Organic sulfonic acid or derivatives - Tetraalkylammonium salt - Organosulfonic acid or derivatives - Quaternary ammonium salt - Beta-lactam - Meta-thiazoline - Tertiary carboxylic acid amide - Thiazole - Azetidine - Carboxamide group - Carboxylic acid salt - Lactam - Thioenolether - Thioether - Hemithioaminal - Organoheterocyclic compound - Sulfenyl compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Alkoxide - Organosulfur compound - Organic salt - Organic zwitterion - 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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