Structure Information
Structure

Compound Identification

SMILES

[Ca++].Oc1c(cc2ccccc2c1\N=N\c1ccc2ccccc2c1S([O-])(=O)=O)C([O-])=O

InChIKey

InChIKey=OVHKKOQGPOYPLY-PGCQSHBKSA-L

Formula

C21H12CaN2O6S

Mass

460.47

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Naphthalenes

Subclass

Naphthalene sulfonic acids and derivatives

Intermediate Tree Nodes

Naphthalene sulfonates

Direct Parent

1-naphthalene sulfonates

Alternative Parents

Molecular Framework

Aromatic homopolycyclic compounds

Substituents

1-naphthalene sulfonate - 1-naphthalene sulfonic acid or derivatives - 2-naphthalenecarboxylic acid - 2-naphthalenecarboxylic acid or derivatives - 2-naphthol - Hydroxybenzoic acid - Salicylic acid or derivatives - Arylsulfonic acid or derivatives - Vinylogous acid - Organic sulfonic acid or derivatives - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Azo compound - Carboxylic acid salt - Carboxylic acid derivative - Carboxylic acid - Organic calcium salt - Monocarboxylic acid or derivatives - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic salt - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organopnictogen compound - Organic nitrogen compound - Aromatic homopolycyclic compound

Description

This compound belongs to the class of organic compounds known as 1-naphthalene sulfonates. These are organic aromatic compounds that contain a naphthalene moiety that carries a sulfonic acid group 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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