Structure Information
Structure

Compound Identification

SMILES

CN1C(C(=O)C2=CC=C(C=C2)C#N)=C(OC(=O)C2=CC3=CC=CC=C3C=C2)C2=CC=CC=C2S1(=O)=O

InChIKey

InChIKey=QKEFVVIMLULJRF-UHFFFAOYSA-N

Formula

C28H18N2O5S

Mass

494.52

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Naphthalenes

Subclass

Naphthalenecarboxylic acids and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Naphthalenecarboxylic acids

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

2-naphthalenecarboxylic acid - Benzothiazine - Benzonitrile - Benzoyl - Aryl ketone - Ortho-thiazine - Monocyclic benzene moiety - Organosulfonic acid amide - Enol ester - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxylic acid ester - Ketone - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Carbonitrile - Nitrile - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Cyanide - Organic oxide - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as naphthalenecarboxylic acids. These are compounds containing a naphthalene moiety, which bears a carboxylic acid group one or more positions. Naphthalene is a bicyclic compound that is made up of two fused benzene ring.

External Descriptors

Not available

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