U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C12H8N2O6S
Molecular Weight 308.267
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Bis(3-nitrophenyl)sulfone

SMILES

[O-][N+](=O)C1=CC=CC(=C1)S(=O)(=O)C2=CC(=CC=C2)[N+]([O-])=O

InChI

InChIKey=AKAXCFAQCKRJOT-UHFFFAOYSA-N
InChI=1S/C12H8N2O6S/c15-13(16)9-3-1-5-11(7-9)21(19,20)12-6-2-4-10(8-12)14(17)18/h1-8H

HIDE SMILES / InChI

Approval Year

Name Type Language
NSC-20608
Preferred Name English
Bis(3-nitrophenyl)sulfone
Systematic Name English
1,1?-Sulfonylbis[3-nitrobenzene]
Systematic Name English
Benzene, 1,1?-sulfonylbis[3-nitro-
Systematic Name English
Bis(m-nitrophenyl)sulfone
Systematic Name English
Code System Code Type Description
CAS
1228-53-1
Created by admin on Wed Apr 02 10:22:37 GMT 2025 , Edited by admin on Wed Apr 02 10:22:37 GMT 2025
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FDA UNII
T2NSW45M9A
Created by admin on Wed Apr 02 10:22:37 GMT 2025 , Edited by admin on Wed Apr 02 10:22:37 GMT 2025
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NSC
20608
Created by admin on Wed Apr 02 10:22:37 GMT 2025 , Edited by admin on Wed Apr 02 10:22:37 GMT 2025
PRIMARY
EPA CompTox
DTXSID8061634
Created by admin on Wed Apr 02 10:22:37 GMT 2025 , Edited by admin on Wed Apr 02 10:22:37 GMT 2025
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PUBCHEM
71050
Created by admin on Wed Apr 02 10:22:37 GMT 2025 , Edited by admin on Wed Apr 02 10:22:37 GMT 2025
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ECHA (EC/EINECS)
214-965-2
Created by admin on Wed Apr 02 10:22:37 GMT 2025 , Edited by admin on Wed Apr 02 10:22:37 GMT 2025
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