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Details

Stereochemistry ACHIRAL
Molecular Formula C10H12NO6S.Na
Molecular Weight 297.26
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Sodium 3-(4-methyl-2-nitrophenoxy)propanesulfonate

SMILES

[Na+].CC1=CC=C(OCCCS([O-])(=O)=O)C(=C1)[N+]([O-])=O

InChI

InChIKey=NYUMEYVVSINMIU-UHFFFAOYSA-M
InChI=1S/C10H13NO6S.Na/c1-8-3-4-10(9(7-8)11(12)13)17-5-2-6-18(14,15)16;/h3-4,7H,2,5-6H2,1H3,(H,14,15,16);/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula C10H12NO6S
Molecular Weight 274.27
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula Na
Molecular Weight 22.9898
Charge 1
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 17:24:58 GMT 2023
Edited
by admin
on Sat Dec 16 17:24:58 GMT 2023
Record UNII
7PN88VV34W
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Sodium 3-(4-methyl-2-nitrophenoxy)propanesulfonate
Systematic Name English
1-Propanesulfonic acid, 3-(4-methyl-2-nitrophenoxy)-, sodium salt
Common Name English
Sodium 3-(4-methyl-2-nitrophenoxy)propanesulphonate
Systematic Name English
1-Propanesulfonic acid, 3-(4-methyl-2-nitrophenoxy)-, sodium salt (1:1)
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID901000761
Created by admin on Sat Dec 16 17:24:58 GMT 2023 , Edited by admin on Sat Dec 16 17:24:58 GMT 2023
PRIMARY
CAS
79817-52-0
Created by admin on Sat Dec 16 17:24:58 GMT 2023 , Edited by admin on Sat Dec 16 17:24:58 GMT 2023
PRIMARY
PUBCHEM
3018873
Created by admin on Sat Dec 16 17:24:58 GMT 2023 , Edited by admin on Sat Dec 16 17:24:58 GMT 2023
PRIMARY
FDA UNII
7PN88VV34W
Created by admin on Sat Dec 16 17:24:58 GMT 2023 , Edited by admin on Sat Dec 16 17:24:58 GMT 2023
PRIMARY