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

Details

Stereochemistry ACHIRAL
Molecular Formula C9H11NO5S
Molecular Weight 245.252
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOPROPYL NOSYLATE

SMILES

CC(C)OS(=O)(=O)C1=CC=C(C=C1)[N+]([O-])=O

InChI

InChIKey=SKEMEAIANCBOLC-UHFFFAOYSA-N
InChI=1S/C9H11NO5S/c1-7(2)15-16(13,14)9-5-3-8(4-6-9)10(11)12/h3-7H,1-2H3

HIDE SMILES / InChI

Molecular Formula C9H11NO5S
Molecular Weight 245.252
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 19:53:01 GMT 2025
Edited
by admin
on Tue Apr 01 19:53:01 GMT 2025
Record UNII
4A5MNL2SQX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-240407
Preferred Name English
ISOPROPYL NOSYLATE
Common Name English
BENZENESULFONIC ACID, 4-NITRO-, 1-METHYLETHYL ESTER
Common Name English
ISOPROPYL P-NITROBENZENESULFONATE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID70171372
Created by admin on Tue Apr 01 19:53:01 GMT 2025 , Edited by admin on Tue Apr 01 19:53:01 GMT 2025
PRIMARY
NSC
240407
Created by admin on Tue Apr 01 19:53:01 GMT 2025 , Edited by admin on Tue Apr 01 19:53:01 GMT 2025
PRIMARY
PUBCHEM
99544
Created by admin on Tue Apr 01 19:53:01 GMT 2025 , Edited by admin on Tue Apr 01 19:53:01 GMT 2025
PRIMARY
CAS
1830-67-7
Created by admin on Tue Apr 01 19:53:01 GMT 2025 , Edited by admin on Tue Apr 01 19:53:01 GMT 2025
PRIMARY
FDA UNII
4A5MNL2SQX
Created by admin on Tue Apr 01 19:53:01 GMT 2025 , Edited by admin on Tue Apr 01 19:53:01 GMT 2025
PRIMARY