Structure Information
Structure

Compound Identification

SMILES

OS(=O)(=O)C1=CC=CC2=C1C=CC=C2S([O-])(=O)=O.CC[NH+](CCCl)CCOC1=C(C=C(O)C(C)=C1)C(C)C

InChIKey

InChIKey=FGIRPPYYUKPXNB-UHFFFAOYSA-N

Formula

C26H34ClNO8S2

Mass

588.13

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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 sulfonic acid or derivatives - 1-naphthalene sulfonate - P-cymene - Aromatic monoterpenoid - Bicyclic monoterpenoid - Monoterpenoid - Arylsulfonic acid or derivatives - Cumene - 4-alkoxyphenol - Phenylpropane - 1-sulfo,2-unsubstituted aromatic compound - Phenoxy compound - O-cresol - Phenol ether - Alkyl aryl ether - Toluene - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Ether - Organic zwitterion - Organonitrogen compound - Organochloride - Organohalogen compound - Alkyl halide - Organooxygen compound - Alkyl chloride - Organosulfur compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organic salt - Amine - 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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