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Details

Stereochemistry ACHIRAL
Molecular Formula C14H21O3S.Na
Molecular Weight 292.37
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SODIUM 2-OCTYLBENZENE SULFONATE

SMILES

[Na+].CCCCCCCCC1=CC=CC=C1S([O-])(=O)=O

InChI

InChIKey=PFIOPNYSBSJFJJ-UHFFFAOYSA-M
InChI=1S/C14H22O3S.Na/c1-2-3-4-5-6-7-10-13-11-8-9-12-14(13)18(15,16)17;/h8-9,11-12H,2-7,10H2,1H3,(H,15,16,17);/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 C14H21O3S
Molecular Weight 269.38
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 08:07:23 GMT 2023
Edited
by admin
on Sat Dec 16 08:07:23 GMT 2023
Record UNII
1850DZE94H
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SODIUM 2-OCTYLBENZENE SULFONATE
Systematic Name English
SODIUM O-OCTYLBENZENE SULFONATE
Systematic Name English
BENZENESULFONIC ACID, 2-OCTYL-, SODIUM SALT (1:1)
Systematic Name English
Code System Code Type Description
PUBCHEM
23690799
Created by admin on Sat Dec 16 08:07:23 GMT 2023 , Edited by admin on Sat Dec 16 08:07:23 GMT 2023
PRIMARY
CAS
4206-40-0
Created by admin on Sat Dec 16 08:07:23 GMT 2023 , Edited by admin on Sat Dec 16 08:07:23 GMT 2023
PRIMARY
FDA UNII
1850DZE94H
Created by admin on Sat Dec 16 08:07:23 GMT 2023 , Edited by admin on Sat Dec 16 08:07:23 GMT 2023
PRIMARY