Structure Information
Structure

Compound Identification

SMILES

CC(=O)C1=CC(N\N=C2/C(=O)C=C(C3=C2C=CC(=C3)[N+]([O-])=O)S(O)(=O)=O)=C(O)C=C1O

InChIKey

InChIKey=RNLPHZOTPJDQNX-ZZEZOPTASA-N

Formula

C18H13N3O9S

Mass

447.37

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Naphthalenes

Subclass

Nitronaphthalenes

Intermediate Tree Nodes

Not available

Direct Parent

Nitronaphthalenes

Alternative Parents

Molecular Framework

Aromatic homopolycyclic compounds

Substituents

Alkyl-phenylketone - 2-nitronaphthalene - Acetophenone - Phenylketone - Nitroaromatic compound - Benzoyl - Phenylhydrazine - Resorcinol - Aryl alkyl ketone - Aryl ketone - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Vinylogous acid - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Cyclic ketone - Ketone - 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 - Carbonyl group - Organic oxide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organosulfur compound - Organic nitrogen compound - Organic salt - Organic oxygen compound - Organic cation - Aromatic homopolycyclic compound

Description

This compound belongs to the class of organic compounds known as nitronaphthalenes. These are polycyclic aromatic compounds containing a naphthalene moiety substituted by one or more nitro groups.

External Descriptors

Not available

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