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

Details

Stereochemistry ACHIRAL
Molecular Formula C12H11O3S.Na
Molecular Weight 258.269
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SODIUM 3,8-DIMETHYL-1-NAPHTHALENESULFONATE

SMILES

[Na+].CC1=CC(=C2C(C)=CC=CC2=C1)S([O-])(=O)=O

InChI

InChIKey=XHOZGCOACHTZGJ-UHFFFAOYSA-M
InChI=1S/C12H12O3S.Na/c1-8-6-10-5-3-4-9(2)12(10)11(7-8)16(13,14)15;/h3-7H,1-2H3,(H,13,14,15);/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 C12H11O3S
Molecular Weight 235.279
Charge -1
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 Sat Dec 16 10:57:16 GMT 2023
Edited
by admin
on Sat Dec 16 10:57:16 GMT 2023
Record UNII
OHF7Y2XRBQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SODIUM 3,8-DIMETHYL-1-NAPHTHALENESULFONATE
Systematic Name English
Code System Code Type Description
PUBCHEM
101324164
Created by admin on Sat Dec 16 10:57:16 GMT 2023 , Edited by admin on Sat Dec 16 10:57:16 GMT 2023
PRIMARY
FDA UNII
OHF7Y2XRBQ
Created by admin on Sat Dec 16 10:57:16 GMT 2023 , Edited by admin on Sat Dec 16 10:57:16 GMT 2023
PRIMARY