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

Details

Stereochemistry ACHIRAL
Molecular Formula C13H13O3S.Na
Molecular Weight 272.295
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

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

SMILES

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

InChI

InChIKey=ANSCQMQJAJIABZ-UHFFFAOYSA-M
InChI=1S/C13H14O3S.Na/c1-9(2)10-7-8-13(17(14,15)16)12-6-4-3-5-11(10)12;/h3-9H,1-2H3,(H,14,15,16);/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 C13H13O3S
Molecular Weight 249.306
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 12:27:50 GMT 2023
Edited
by admin
on Sat Dec 16 12:27:50 GMT 2023
Record UNII
HA2CBE44SU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SODIUM 4-ISOPROPYL-1-NAPHTHALENESULFONATE
Systematic Name English
SODIUM 4-(1-METHYLETHYL)NAPHTHALENE-1-SULFONATE
Systematic Name English
1-NAPHTHALENESULFONIC ACID, 4-(1-METHYLETHYL)-, SODIUM SALT
Systematic Name English
1-NAPHTHALENESULFONIC ACID, 4-(1-METHYLETHYL)-, SODIUM SALT (1:1)
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
259-514-0
Created by admin on Sat Dec 16 12:27:50 GMT 2023 , Edited by admin on Sat Dec 16 12:27:50 GMT 2023
PRIMARY
EPA CompTox
DTXSID50203685
Created by admin on Sat Dec 16 12:27:50 GMT 2023 , Edited by admin on Sat Dec 16 12:27:50 GMT 2023
PRIMARY
FDA UNII
HA2CBE44SU
Created by admin on Sat Dec 16 12:27:50 GMT 2023 , Edited by admin on Sat Dec 16 12:27:50 GMT 2023
PRIMARY
CAS
55184-48-0
Created by admin on Sat Dec 16 12:27:50 GMT 2023 , Edited by admin on Sat Dec 16 12:27:50 GMT 2023
PRIMARY
PUBCHEM
23663703
Created by admin on Sat Dec 16 12:27:50 GMT 2023 , Edited by admin on Sat Dec 16 12:27:50 GMT 2023
PRIMARY