Structure Information
Structure

Compound Identification

SMILES

[Ca++].CC1=CC(=C(N\N=C2\C(=O)C(=CC3=CC=CC=C23)C([O-])=O)C=C1)S([O-])(=O)=O

InChIKey

InChIKey=WANIKCLUTOABTP-QTNJPTFUSA-L

Formula

C18H12CaN2O6S

Mass

424.44

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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 homopolycyclic compounds

Substituents

2-naphthalenecarboxylic acid - Benzenesulfonate - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Phenylhydrazine - Toluene - Monocyclic benzene moiety - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Carboxylic acid salt - Ketone - Cyclic ketone - Organic calcium salt - Monocarboxylic acid or derivatives - Hydrazone - Carboxylic acid - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Organic salt - Organic oxygen compound - Organic cation - Aromatic homopolycyclic 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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