Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C1=CC=CC=C1C(=O)OCC#CCSC1=NC2=CC=CC=C2N1S(=O)(=O)C1=CC2=CC=CC=C2C=C1

InChIKey

InChIKey=BZDUDQSMHMIJKV-UHFFFAOYSA-N

Formula

C28H19N3O6S2

Mass

557.6

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

Aromatic heteropolycyclic compounds

Substituents

2-naphthalene sulfonamide - Naphthalene sulfonamide - 2-naphthalene sulfonic acid or derivatives - Nitrobenzoate - Benzoate ester - Benzimidazole - Benzoic acid or derivatives - Nitrobenzene - Aryl thioether - Nitroaromatic compound - Benzoyl - Alkylarylthioether - N-substituted imidazole - Monocyclic benzene moiety - Imidazole - Heteroaromatic compound - Azole - Organic sulfonic acid or derivatives - Sulfonyl - Organosulfonic acid or derivatives - C-nitro compound - Carboxylic acid ester - Organic nitro compound - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Sulfenyl compound - Organic oxoazanium - Thioether - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic salt - Organic cation - 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