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Details

Stereochemistry RACEMIC
Molecular Formula C3H7O4S.Na
Molecular Weight 162.14
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SODIUM 1-METHYL ISETHIONATE

SMILES

[Na+].CC(CO)S([O-])(=O)=O

InChI

InChIKey=FGEHUOVDONBDLY-UHFFFAOYSA-M
InChI=1S/C3H8O4S.Na/c1-3(2-4)8(5,6)7;/h3-4H,2H2,1H3,(H,5,6,7);/q;+1/p-1

HIDE SMILES / InChI

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

Molecular Formula C3H7O4S
Molecular Weight 139.15
Charge -1
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 01:46:19 GMT 2023
Edited
by admin
on Sat Dec 16 01:46:19 GMT 2023
Record UNII
KP9345N1CU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SODIUM 1-METHYL ISETHIONATE
Common Name English
2-PROPANESULFONIC ACID, 1-HYDROXY-, SODIUM SALT (1:1)
Common Name English
2-PROPANESULFONIC ACID, 1-HYDROXY-, MONOSODIUM SALT
Common Name English
SODIUM 1-METHYL ISETHIONATE, (±)-
Common Name English
Code System Code Type Description
FDA UNII
KP9345N1CU
Created by admin on Sat Dec 16 01:46:19 GMT 2023 , Edited by admin on Sat Dec 16 01:46:19 GMT 2023
PRIMARY
PUBCHEM
23701138
Created by admin on Sat Dec 16 01:46:19 GMT 2023 , Edited by admin on Sat Dec 16 01:46:19 GMT 2023
PRIMARY
CAS
27242-34-8
Created by admin on Sat Dec 16 01:46:19 GMT 2023 , Edited by admin on Sat Dec 16 01:46:19 GMT 2023
PRIMARY