Structure Information
Structure

Compound Identification

SMILES

OS(=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=KWEWCPDUKHCLNJ-RQXXSLPSSA-N

Formula

C29H19ClFN7O13S4

Mass

856.2

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