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Structure Information
Structure

Compound Identification

SMILES

CC1=CSC(NC2=CC=C(Cl)C=C2)=[N+]1CCC(O)(P(O)(O)=O)P(O)([O-])=O

InChIKey

InChIKey=WJNHQTRBNZHDGJ-UHFFFAOYSA-N

Formula

C13H17ClN2O7P2S

Mass

442.74

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic acids and derivatives

Class

Organic phosphonic acids and derivatives

Subclass

Bisphosphonates

Intermediate Tree Nodes

Not available

Direct Parent

Bisphosphonates

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Bisphosphonate - Aniline or substituted anilines - 2,4-disubstituted 1,3-thiazole - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - 1,3-thiazol-2-amine - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Azole - Thiazole - Organophosphonic acid - Azacycle - Organoheterocyclic compound - Secondary amine - Organic oxygen compound - Organochloride - Organonitrogen compound - Organohalogen compound - Organooxygen compound - Organophosphorus compound - Organic nitrogen compound - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - Amine - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as bisphosphonates. These are organic compounds containing two phosphonate groups linked together through a carbon atoms.

External Descriptors

Not available

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