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

Details

Stereochemistry ACHIRAL
Molecular Formula C10H8NO3S.Na
Molecular Weight 245.23
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SODIUM NAPHTHIONATE

SMILES

[Na+].NC1=C2C=CC=CC2=C(C=C1)S([O-])(=O)=O

InChI

InChIKey=JWSRMCCRAJUMLX-UHFFFAOYSA-M
InChI=1S/C10H9NO3S.Na/c11-9-5-6-10(15(12,13)14)8-4-2-1-3-7(8)9;/h1-6H,11H2,(H,12,13,14);/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula C10H8NO3S
Molecular Weight 222.24
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 22.9898
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

Patents

Substance Class Chemical
Record UNII
I33I8X596V
Record Status Validated (UNII)
Record Version