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Details

Stereochemistry ACHIRAL
Molecular Formula C19H31O3S.Na
Molecular Weight 362.502
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SODIUM 2-TRIDECYLBENZENESULFONATE

SMILES

[Na+].CCCCCCCCCCCCCC1=CC=CC=C1S([O-])(=O)=O

InChI

InChIKey=AFYPNTUHYMOABW-UHFFFAOYSA-M
InChI=1S/C19H32O3S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-16-13-14-17-19(18)23(20,21)22;/h13-14,16-17H,2-12,15H2,1H3,(H,20,21,22);/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula C19H31O3S
Molecular Weight 339.513
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

PubMed

PubMed

TitleDatePubMed
Amended safety assessment of dodecylbenzenesulfonate, decylbenzenesulfonate, and tridecylbenzenesulfonate salts as used in cosmetics.
2010 Nov-Dec
Substance Class Chemical
Created
by admin
on Sat Dec 16 08:38:52 GMT 2023
Edited
by admin
on Sat Dec 16 08:38:52 GMT 2023
Record UNII
781Q09CX7V
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SODIUM 2-TRIDECYLBENZENESULFONATE
Systematic Name English
BENZENESULFONIC ACID, 2-TRIDECYL-, SODIUM SALT (1:1)
Systematic Name English
Code System Code Type Description
FDA UNII
781Q09CX7V
Created by admin on Sat Dec 16 08:38:52 GMT 2023 , Edited by admin on Sat Dec 16 08:38:52 GMT 2023
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CAS
925392-78-5
Created by admin on Sat Dec 16 08:38:52 GMT 2023 , Edited by admin on Sat Dec 16 08:38:52 GMT 2023
PRIMARY
PUBCHEM
23699607
Created by admin on Sat Dec 16 08:38:52 GMT 2023 , Edited by admin on Sat Dec 16 08:38:52 GMT 2023
PRIMARY