Structure Information
Structure

Compound Identification

SMILES

C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(CN3C(=O)C4=CC=CC5=C(CCN6C=C[N+](CCO)=C6)C=CC(=C45)S3(=O)=O)=C(N2C1=O)C([O-])=O

InChIKey

InChIKey=OMLDDVUUFBNIRN-KDVGALNQSA-N

Formula

C29H30N4O8S

Mass

594.64

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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 - Benzothiazine - Pyrroline carboxylic acid - Pyrroline carboxylic acid or derivatives - Azepine - Ortho-thiazine - N-substituted imidazole - Heteroaromatic compound - Azole - Beta-lactam - Imidazole - Pyrroline - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Tertiary carboxylic acid amide - Azetidine - Secondary alcohol - Lactam - Carboxylic acid salt - Carboxamide group - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Alkanolamine - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Carbonyl group - Organic salt - Hydrocarbon derivative - Organic zwitterion - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Primary alcohol - Alcohol - 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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