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

Details

Stereochemistry ABSOLUTE
Molecular Formula C9H9NO6S
Molecular Weight 259.236
Optical Activity ( + )
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ((2S)-Oxiran-2-yl)methyl 3-nitrobenzenesulfonate

SMILES

[O-][N+](=O)C1=CC=CC(=C1)S(=O)(=O)OC[C@@H]2CO2

InChI

InChIKey=AIHIHVZYAAMDPM-QMMMGPOBSA-N
InChI=1S/C9H9NO6S/c11-10(12)7-2-1-3-9(4-7)17(13,14)16-6-8-5-15-8/h1-4,8H,5-6H2/t8-/m0/s1

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
((2S)-Oxiran-2-yl)methyl 3-nitrobenzenesulfonate
Systematic Name English
Benzenesulfonic acid, 3-nitro-, (2S)-2-oxiranylmethyl ester
Systematic Name English
Benzenesulfonic acid, 3-nitro-, (2S)-oxiranylmethyl ester
Systematic Name English
(S)-(+)-3-Nitrobenzenesulfonic acid glycidyl ester
Systematic Name English
Code System Code Type Description
FDA UNII
TH53HZU4D9
Created by admin on Sat Dec 16 19:27:01 GMT 2023 , Edited by admin on Sat Dec 16 19:27:01 GMT 2023
PRIMARY
CAS
115314-14-2
Created by admin on Sat Dec 16 19:27:01 GMT 2023 , Edited by admin on Sat Dec 16 19:27:01 GMT 2023
PRIMARY
PUBCHEM
146490
Created by admin on Sat Dec 16 19:27:01 GMT 2023 , Edited by admin on Sat Dec 16 19:27:01 GMT 2023
PRIMARY
EPA CompTox
DTXSID00151046
Created by admin on Sat Dec 16 19:27:01 GMT 2023 , Edited by admin on Sat Dec 16 19:27:01 GMT 2023
PRIMARY
NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966