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 C7H7O3S.Na
Molecular Weight 194.183
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SODIUM M-TOLUENESULFONATE

SMILES

[Na+].CC1=CC=CC(=C1)S([O-])(=O)=O

InChI

InChIKey=WGGICLLPYNXXCK-UHFFFAOYSA-M
InChI=1S/C7H8O3S.Na/c1-6-3-2-4-7(5-6)11(8,9)10;/h2-5H,1H3,(H,8,9,10);/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula C7H7O3S
Molecular Weight 171.194
Charge -1
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 Na
Molecular Weight 22.98976928
Charge 1
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

Substance Class Chemical
Record UNII
AI4D3787YW
Record Status Validated (UNII)
Record Version