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Structure Information
Structure

Compound Identification

SMILES

OC(CC[N+]1=C(NC2=CC=C(C=C2)[N+]([O-])=O)SC=C1C1=CC=CC=C1)(P(O)(O)=O)P(O)(O)=O

InChIKey

InChIKey=UYBHYAWILYCKDD-UHFFFAOYSA-O

Formula

C18H20N3O9P2S

Mass

516.38

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Nitrobenzenes

Intermediate Tree Nodes

Not available

Direct Parent

Nitrobenzenes

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Bisphosphonate - Nitrobenzene - Nitroaromatic compound - Aniline or substituted anilines - 2,4-disubstituted 1,3-thiazole - 1,3-thiazol-2-amine - Azole - Heteroaromatic compound - Organophosphonic acid - Organophosphonic acid derivative - Thiazole - C-nitro compound - Organic nitro compound - Azacycle - Organic oxoazanium - Organoheterocyclic compound - Secondary amine - Organonitrogen compound - Organic salt - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organophosphorus compound - Organic oxygen compound - Organic cation - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.

External Descriptors

Not available

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