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

Details

Stereochemistry ACHIRAL
Molecular Formula C10H6O7S2.2Na
Molecular Weight 348.26
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Disodium 3-hydroxynaphthalene-2,6-disulfonate

SMILES

[Na+].[Na+].OC1=C(C=C2C=CC(=CC2=C1)S([O-])(=O)=O)S([O-])(=O)=O

InChI

InChIKey=AHIGTETYWQNRQW-UHFFFAOYSA-L
InChI=1S/C10H8O7S2.2Na/c11-9-4-7-3-8(18(12,13)14)2-1-6(7)5-10(9)19(15,16)17;;/h1-5,11H,(H,12,13,14)(H,15,16,17);;/q;2*+1/p-2

HIDE SMILES / InChI

Molecular Formula Na
Molecular Weight 22.98976928
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C10H6O7S2
Molecular Weight 302.28
Charge -2
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 Tue Apr 01 19:15:21 GMT 2025
Edited
by admin
on Tue Apr 01 19:15:21 GMT 2025
Record UNII
9N49LEJ9MM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,6-Naphthalenedisulfonic acid, 3-hydroxy-, disodium salt
Preferred Name English
Disodium 3-hydroxynaphthalene-2,6-disulfonate
Systematic Name English
2,6-Naphthalenedisulfonic acid, 3-hydroxy-, sodium salt (1:2)
Systematic Name English
Code System Code Type Description
FDA UNII
9N49LEJ9MM
Created by admin on Tue Apr 01 19:15:21 GMT 2025 , Edited by admin on Tue Apr 01 19:15:21 GMT 2025
PRIMARY
CAS
83949-45-5
Created by admin on Tue Apr 01 19:15:21 GMT 2025 , Edited by admin on Tue Apr 01 19:15:21 GMT 2025
PRIMARY
EPA CompTox
DTXSID50232854
Created by admin on Tue Apr 01 19:15:21 GMT 2025 , Edited by admin on Tue Apr 01 19:15:21 GMT 2025
PRIMARY
ECHA (EC/EINECS)
281-406-7
Created by admin on Tue Apr 01 19:15:21 GMT 2025 , Edited by admin on Tue Apr 01 19:15:21 GMT 2025
PRIMARY
PUBCHEM
11970749
Created by admin on Tue Apr 01 19:15:21 GMT 2025 , Edited by admin on Tue Apr 01 19:15:21 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE