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

Details

Stereochemistry ACHIRAL
Molecular Formula C9H11NO6S
Molecular Weight 261.252
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-((4-METHOXY-3-NITROPHENYL)SULFONYL)ETHANOL

SMILES

COC1=C(C=C(C=C1)S(=O)(=O)CCO)[N+]([O-])=O

InChI

InChIKey=XIPJCKZGPTYNFJ-UHFFFAOYSA-N
InChI=1S/C9H11NO6S/c1-16-9-3-2-7(6-8(9)10(12)13)17(14,15)5-4-11/h2-3,6,11H,4-5H2,1H3

HIDE SMILES / InChI

Molecular Formula C9H11NO6S
Molecular Weight 261.252
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 Sat Dec 16 12:24:06 UTC 2023
Edited
by admin
on Sat Dec 16 12:24:06 UTC 2023
Record UNII
4847F9B6C4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-((4-METHOXY-3-NITROPHENYL)SULFONYL)ETHANOL
Systematic Name English
ETHANOL, 2-((4-METHOXY-3-NITROPHENYL)SULFONYL)-
Systematic Name English
2-((4-METHOXY-3-NITROPHENYL)SULPHONYL)ETHANOL
Systematic Name English
2-(4-METHOXY-3-NITROPHENYL)SULFONYLETHANOL
Systematic Name English
ETHANOL, 2-((4-METHOXY-3-NITROPHENYL)SULPHONYL)-
Systematic Name English
2-(4-METHOXY-3-NITROPHENYL)SULPHONYLETHANOL
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
257-894-2
Created by admin on Sat Dec 16 12:24:06 UTC 2023 , Edited by admin on Sat Dec 16 12:24:06 UTC 2023
PRIMARY
CAS
52398-83-1
Created by admin on Sat Dec 16 12:24:06 UTC 2023 , Edited by admin on Sat Dec 16 12:24:06 UTC 2023
PRIMARY
PUBCHEM
104189
Created by admin on Sat Dec 16 12:24:06 UTC 2023 , Edited by admin on Sat Dec 16 12:24:06 UTC 2023
PRIMARY
EPA CompTox
DTXSID3068752
Created by admin on Sat Dec 16 12:24:06 UTC 2023 , Edited by admin on Sat Dec 16 12:24:06 UTC 2023
PRIMARY
FDA UNII
4847F9B6C4
Created by admin on Sat Dec 16 12:24:06 UTC 2023 , Edited by admin on Sat Dec 16 12:24:06 UTC 2023
PRIMARY