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

Details

Stereochemistry ACHIRAL
Molecular Formula C19H32O3S
Molecular Weight 340.521
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-TRIDECYLBENZENESULFONIC ACID

SMILES

CCCCCCCCCCCCCC1=C(C=CC=C1)S(O)(=O)=O

InChI

InChIKey=PVXSFEGIHWMAOD-UHFFFAOYSA-N
InChI=1S/C19H32O3S/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)

HIDE SMILES / InChI

Molecular Formula C19H32O3S
Molecular Weight 340.521
Charge 0
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 10:26:38 GMT 2023
Edited
by admin
on Sat Dec 16 10:26:38 GMT 2023
Record UNII
749HV20CW6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-TRIDECYLBENZENESULFONIC ACID
Systematic Name English
BENZENESULFONIC ACID, 2-TRIDECYL-
Systematic Name English
Code System Code Type Description
CAS
531501-83-4
Created by admin on Sat Dec 16 10:26:38 GMT 2023 , Edited by admin on Sat Dec 16 10:26:38 GMT 2023
PRIMARY
PUBCHEM
172719
Created by admin on Sat Dec 16 10:26:38 GMT 2023 , Edited by admin on Sat Dec 16 10:26:38 GMT 2023
PRIMARY
FDA UNII
749HV20CW6
Created by admin on Sat Dec 16 10:26:38 GMT 2023 , Edited by admin on Sat Dec 16 10:26:38 GMT 2023
PRIMARY