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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 3-OCTYLBENZENE SULFONATE

SMILES

[Na+].CCCCCCCCC1=CC(=CC=C1)S([O-])(=O)=O

InChI

InChIKey=WJHWYLGTYGBGBC-UHFFFAOYSA-M
InChI=1S/C14H22O3S.Na/c1-2-3-4-5-6-7-9-13-10-8-11-14(12-13)18(15,16)17;/h8,10-12H,2-7,9H2,1H3,(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 08:07:24 GMT 2023
Edited
by admin
on Sat Dec 16 08:07:24 GMT 2023
Record UNII
4U601365UD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SODIUM 3-OCTYLBENZENE SULFONATE
Systematic Name English
SODIUM M-OCTYLBENZENE SULFONATE
Systematic Name English
BENZENESULFONIC ACID, 3-OCTYL-, SODIUM SALT (1:1)
Systematic Name English
Code System Code Type Description
CAS
112714-98-4
Created by admin on Sat Dec 16 08:07:24 GMT 2023 , Edited by admin on Sat Dec 16 08:07:24 GMT 2023
PRIMARY
PUBCHEM
76967093
Created by admin on Sat Dec 16 08:07:24 GMT 2023 , Edited by admin on Sat Dec 16 08:07:24 GMT 2023
PRIMARY
FDA UNII
4U601365UD
Created by admin on Sat Dec 16 08:07:24 GMT 2023 , Edited by admin on Sat Dec 16 08:07:24 GMT 2023
PRIMARY