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 3,7-DIMETHYL-2-NAPHTHALENESULFONATE

SMILES

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

InChI

InChIKey=LKWRQEMYZRVHNW-UHFFFAOYSA-M
InChI=1S/C12H12O3S.Na/c1-8-3-4-10-6-9(2)12(16(13,14)15)7-11(10)5-8;/h3-7H,1-2H3,(H,13,14,15);/q;+1/p-1

HIDE SMILES / InChI

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

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

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 23:27:25 GMT 2025
Edited
by admin
on Mon Mar 31 23:27:25 GMT 2025
Record UNII
9W0UD5HZVS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SODIUM 3,7-DIMETHYL-2-NAPHTHALENESULFONATE
Systematic Name English
2-NAPHTHALENESULFONIC ACID, 3,7-DIMETHYL-, SODIUM SALT (1:1)
Preferred Name English
Code System Code Type Description
FDA UNII
9W0UD5HZVS
Created by admin on Mon Mar 31 23:27:25 GMT 2025 , Edited by admin on Mon Mar 31 23:27:25 GMT 2025
PRIMARY
PUBCHEM
23686329
Created by admin on Mon Mar 31 23:27:25 GMT 2025 , Edited by admin on Mon Mar 31 23:27:25 GMT 2025
PRIMARY
CAS
861802-37-1
Created by admin on Mon Mar 31 23:27:25 GMT 2025 , Edited by admin on Mon Mar 31 23:27:25 GMT 2025
PRIMARY