U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry ACHIRAL
Molecular Formula 2C7H4NO3S.Mg
Molecular Weight 388.658
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MAGNESIUM SACCHARIN

SMILES

[Mg++].O=C1[N-]S(=O)(=O)C2=C1C=CC=C2.O=C3[N-]S(=O)(=O)C4=C3C=CC=C4

InChI

InChIKey=UVSYGFBSMKFOKV-UHFFFAOYSA-L
InChI=1S/2C7H5NO3S.Mg/c2*9-7-5-3-1-2-4-6(5)12(10,11)8-7;/h2*1-4H,(H,8,9);/q;;+2/p-2

HIDE SMILES / InChI

Molecular Formula Mg
Molecular Weight 24.305
Charge 2
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C7H5NO3S
Molecular Weight 183.185
Charge 0
Count
MOL RATIO 2 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
64216253E7
Record Status Validated (UNII)
Record Version