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Details

Stereochemistry ACHIRAL
Molecular Formula C13H14O3S
Molecular Weight 250.313
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-Propyl-1-naphthalenesulfonic acid

SMILES

CCCC1=CC=C2C=CC=CC2=C1S(O)(=O)=O

InChI

InChIKey=FWMKPJYJDJSEHR-UHFFFAOYSA-N
InChI=1S/C13H14O3S/c1-2-5-11-9-8-10-6-3-4-7-12(10)13(11)17(14,15)16/h3-4,6-9H,2,5H2,1H3,(H,14,15,16)

HIDE SMILES / InChI

Molecular Formula C13H14O3S
Molecular Weight 250.313
Charge 0
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 Wed Apr 02 17:47:47 GMT 2025
Edited
by admin
on Wed Apr 02 17:47:47 GMT 2025
Record UNII
W4X3P78QXR
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-Propyl-1-naphthalenesulfonic acid
Systematic Name English
Propylnaphthalenesulfonic acid
Preferred Name English
1-Naphthalenesulfonic acid, 2-propyl-
Systematic Name English
Code System Code Type Description
PUBCHEM
3015318
Created by admin on Wed Apr 02 17:47:47 GMT 2025 , Edited by admin on Wed Apr 02 17:47:47 GMT 2025
PRIMARY
CAS
344739-11-3
Created by admin on Wed Apr 02 17:47:47 GMT 2025 , Edited by admin on Wed Apr 02 17:47:47 GMT 2025
PRIMARY
FDA UNII
W4X3P78QXR
Created by admin on Wed Apr 02 17:47:47 GMT 2025 , Edited by admin on Wed Apr 02 17:47:47 GMT 2025
PRIMARY
ECHA (EC/EINECS)
247-983-4
Created by admin on Wed Apr 02 17:47:47 GMT 2025 , Edited by admin on Wed Apr 02 17:47:47 GMT 2025
PRIMARY
EPA CompTox
DTXSID10181273
Created by admin on Wed Apr 02 17:47:47 GMT 2025 , Edited by admin on Wed Apr 02 17:47:47 GMT 2025
PRIMARY
CAS
26761-79-5
Created by admin on Wed Apr 02 17:47:47 GMT 2025 , Edited by admin on Wed Apr 02 17:47:47 GMT 2025
NON-SPECIFIC SUBSTITUTION