Structure Information
Structure

Compound Identification

SMILES

CC1=C(C=CC(Cl)=C1)[N+]#N.[O-]S(=O)(=O)C1=CC=CC2=C1C=CC=C2S([O-])(=O)=O

InChIKey

InChIKey=YKRLYXJCIARNKF-UHFFFAOYSA-L

Formula

C17H12ClN2O6S2

Mass

439.86

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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

Not available

Substituents

1-naphthalene sulfonate - 1-naphthalene sulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Arylsulfonic acid or derivatives - Toluene - Halobenzene - Chlorobenzene - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organic diazonium salt - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organosulfur compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic anion - 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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