Structure Information
Structure

Compound Identification

SMILES

BrCC1=CC=CC=C1.CNN(CC1=CC=CC=C1)S(=O)(=O)C1=CC=C(C)C=C1.COC1=CC=C(CS[C@@H]2C[C@H](N(C2)S(=O)(=O)C2=CC3=CC=CC=C3C=C2)C(O)=O)C=C1

InChIKey

InChIKey=NWPHIVMDCVZJET-JAKCROMZSA-N

Formula

C45H48BrN3O7S3

Mass

918.98

Export to:

JSON SDF CSV

Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Naphthalenes

Subclass

Naphthalene sulfonic acids and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

2-naphthalene sulfonic acids and derivatives

Alternative Parents

Molecular Framework

Not available

Substituents

2-naphthalene sulfonic acid or derivatives - Naphthalene sulfonamide - 2-naphthalene sulfonamide - Proline or derivatives - Alpha-amino acid or derivatives - Tosyl compound - Benzenesulfonamide - Benzenesulfonyl group - Pyrrolidine carboxylic acid or derivatives - Phenoxy compound - Anisole - Methoxybenzene - Benzyl halide - Benzyl bromide - Phenol ether - Pyrrolidine carboxylic acid - Toluene - Alkyl aryl ether - Sulfonohydrazide - Organosulfonic acid amide - Monocyclic benzene moiety - Organic sulfonic acid or derivatives - Pyrrolidine - Sulfonyl - Organosulfonic acid or derivatives - Azacycle - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Dialkylthioether - Sulfenyl compound - Thioether - Organic oxide - Organic oxygen compound - Alkyl halide - Alkyl bromide - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 2-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 2-position. Naphthalene is a bicyclic compound that is made up of two fused benzene ring.

External Descriptors

Not available

Previous Back Next