Structure Information
Structure

Compound Identification

SMILES

[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)C1=CC(NC2=NC(F)=NC(NC3=CC=C(Cl)C=C3)=N2)=C2C(=C1)C=C(\C(=N/NC1=C(C3=C(C=C1)C(=CC=C3)S([O-])(=O)=O)S([O-])(=O)=O)C2=O)S([O-])(=O)=O

InChIKey

InChIKey=MPLWLLUJSSRGCK-AOGSTKAMSA-J

Formula

C29H15ClFN7Na4O13S4

Mass

944.12

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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 heteropolycyclic compounds

Substituents

1-naphthalene sulfonate - 1-naphthalene sulfonic acid or derivatives - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - 2,4-diamine-s-triazine - Aryl ketone - Phenylhydrazine - Aniline or substituted anilines - Amino-1,3,5-triazine - Halo-s-triazine - Aminotriazine - Chlorobenzene - Halobenzene - 1,3,5-triazine - Triazine - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Aryl chloride - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Vinylogous amide - Ketone - Organic metal halide - Secondary amine - Organoheterocyclic compound - Azacycle - Organic alkali metal salt - Hydrazone - Organic salt - Organic oxide - Organochloride - Organohalogen compound - Organofluoride - Organonitrogen compound - Organic sodium salt - Organooxygen compound - Organosulfur compound - Amine - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organic cation - Aromatic heteropolycyclic 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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