Structure Information
Structure

Compound Identification

SMILES

[Ca++].[O-]S(=O)(=O)C1=C(N\N=C2/C(=O)C=CC3=CC=CC=C23)C2=CC=CC=C2C=C1.[O-]S(=O)(=O)C1=C(N\N=C2/C(=O)C=CC3=CC=CC=C23)C2=CC=CC=C2C=C1

InChIKey

InChIKey=RWPSKJABQLKWAH-UIZLRWRNSA-L

Formula

C40H26CaN4O8S2

Mass

794.87

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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

2-naphthalene sulfonates

Alternative Parents

Molecular Framework

Not available

Substituents

2-naphthalene sulfonate - 2-naphthalene sulfonic acid or derivatives - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Phenylhydrazine - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Organosulfonic acid - Ketone - Cyclic ketone - Hydrazone - Organic calcium salt - Organic nitrogen compound - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Carbonyl group - Aromatic homopolycyclic compound

Description

This compound belongs to the class of organic compounds known as 2-naphthalene sulfonates. These are organic aromatic compounds that contain a naphthalene moiety that carries a sulfonic acid group at the 2-position. Naphthalene is a bicyclic compound that is made up of two fused benzene ring.

External Descriptors

Not available

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