Structure Information
Structure

Compound Identification

SMILES

CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NC1=CC=C(S[C@@]2(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O2)[C@H](O)[C@H](O)CO)C(O)=O)C=C1

InChIKey

InChIKey=YRNBBVVAZPSEKQ-DWHFJZGISA-N

Formula

C29H35N3O10S2

Mass

649.73

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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

C-glucuronide - 1-naphthalene sulfonamide - Naphthalene sulfonamide - 1-naphthalene sulfonic acid or derivatives - C-glycosyl compound - Glycosyl compound - Sulfanilide - Tertiary aliphatic/aromatic amine - Aryl thioether - Dialkylarylamine - Monothioketal - Monocyclic benzene moiety - Pyran - Organosulfonic acid amide - Oxane - Acetamide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Monothioacetal - Sulfonyl - Aminosulfonyl compound - Carboxamide group - Amino acid or derivatives - Secondary alcohol - Secondary carboxylic acid amide - Amino acid - Tertiary amine - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Sulfenyl compound - Polyol - Amine - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Organic oxide - Organic nitrogen compound - Primary alcohol - Organonitrogen compound - Organooxygen compound - Organosulfur compound - 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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