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

Details

Stereochemistry ACHIRAL
Molecular Formula C11H9O3S.Na
Molecular Weight 244.242
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SODIUM 4-METHYL-1-NAPHTHALENESULFONATE

SMILES

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

InChI

InChIKey=QBYLJSRWWOKLAM-UHFFFAOYSA-M
InChI=1S/C11H10O3S.Na/c1-8-6-7-11(15(12,13)14)10-5-3-2-4-9(8)10;/h2-7H,1H3,(H,12,13,14);/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula C11H9O3S
Molecular Weight 221.252
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula Na
Molecular Weight 22.9898
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 10:00:07 GMT 2023
Edited
by admin
on Sat Dec 16 10:00:07 GMT 2023
Record UNII
0T389YYK1U
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SODIUM 4-METHYL-1-NAPHTHALENESULFONATE
Systematic Name English
SODIUM 1-METHYLNAPHTHALENE-4-SULFONATE
Systematic Name English
1-NAPHTHALENESULFONIC ACID, 4-METHYL-, SODIUM SALT (1:1)
Systematic Name English
Code System Code Type Description
CAS
5258-48-0
Created by admin on Sat Dec 16 10:00:07 GMT 2023 , Edited by admin on Sat Dec 16 10:00:07 GMT 2023
PRIMARY
FDA UNII
0T389YYK1U
Created by admin on Sat Dec 16 10:00:07 GMT 2023 , Edited by admin on Sat Dec 16 10:00:07 GMT 2023
PRIMARY
PUBCHEM
22945019
Created by admin on Sat Dec 16 10:00:07 GMT 2023 , Edited by admin on Sat Dec 16 10:00:07 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE