Structure Information
Structure

Compound Identification

SMILES

OS(=O)(=O)C1=CC(=C2C=CC(NC3=NC(NC4=CC5=C(C=C4)C=C(\C(=N/NC4=C(C=C(C=C4)[N+]([O-])=O)[N+]([O-])=O)C5=O)S(O)(=O)=O)=NC(Cl)=N3)=CC2=C1)S(O)(=O)=O

InChIKey

InChIKey=PIUHLHBGGGJEQN-AUGOTPMTSA-N

Formula

C29H18ClN9O14S3

Mass

848.14

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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 heteropolycyclic compounds

Substituents

1-naphthalene sulfonic acid or derivatives - 2-naphthalene sulfonic acid or derivatives - 1-naphthalene sulfonate - 2-naphthalene sulfonate - 1-sulfo,2-unsubstituted aromatic compound - Arylsulfonic acid or derivatives - Nitrobenzene - 2,4-diamine-s-triazine - Nitroaromatic compound - Phenylhydrazine - Aryl ketone - Amino-1,3,5-triazine - Chloro-s-triazine - Halo-s-triazine - Aminotriazine - Triazine - Aryl chloride - Aryl halide - 1,3,5-triazine - Monocyclic benzene moiety - Heteroaromatic compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organosulfonic acid - Organic nitro compound - Ketone - C-nitro compound - Azacycle - Organoheterocyclic compound - Hydrazone - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Secondary amine - Organohalogen compound - Organic oxide - Organic salt - Organic oxygen compound - Hydrocarbon derivative - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Amine - Organic nitrogen compound - Organic cation - Aromatic heteropolycyclic 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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