Structure Information
Structure

Compound Identification

SMILES

OP(O)(=O)C1=C(N\N=C2\C(=O)C3=C(C=C(\C(=N/NC4=CC=C(C=C4)[N+]([O-])=O)C3=O)S(O)(=O)=O)C=C2S(O)(=O)=O)C=CC(Cl)=C1

InChIKey

InChIKey=NQUTVWPQIDNKMZ-VCNVVWDHSA-N

Formula

C22H15ClN5O13PS2

Mass

687.93

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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

Aromatic homopolycyclic compounds

Substituents

2-naphthalene sulfonic acid or derivatives - 2-naphthalene sulfonate - Arylsulfonic acid or derivatives - Nitrobenzene - 1-sulfo,2-unsubstituted aromatic compound - Nitroaromatic compound - Phenylhydrazine - Chlorobenzene - Halobenzene - Aryl halide - Monocyclic benzene moiety - Aryl chloride - Organophosphonic acid - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organophosphonic acid derivative - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Hydrazone - Organic oxoazanium - Organic oxygen compound - Organic salt - Organohalogen compound - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organophosphorus compound - Organic cation - 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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