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

Details

Stereochemistry ACHIRAL
Molecular Formula C18H30O3S.C4H11NO2
Molecular Weight 431.63
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-DODECYL BENZENE SULFONATE DIETHANOLAMINE

SMILES

OCCNCCO.CCCCCCCCCCCCC1=C(C=CC=C1)S(O)(=O)=O

InChI

InChIKey=HXDXZZNFARDZLT-UHFFFAOYSA-N
InChI=1S/C18H30O3S.C4H11NO2/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21;6-3-1-5-2-4-7/h12-13,15-16H,2-11,14H2,1H3,(H,19,20,21);5-7H,1-4H2

HIDE SMILES / InChI

Molecular Formula C4H11NO2
Molecular Weight 105.1356
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C18H30O3S
Molecular Weight 326.494
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 Sat Dec 16 14:21:06 UTC 2023
Edited
by admin
on Sat Dec 16 14:21:06 UTC 2023
Record UNII
371WIC7F7U
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-DODECYL BENZENE SULFONATE DIETHANOLAMINE
Systematic Name English
O-DODECYLBENZENE SULFONATE DIETHANOLAMINE
Systematic Name English
DIETHANOLAMINE 2-LAURYLBENZENE SULFONATE
Systematic Name English
Code System Code Type Description
PUBCHEM
22328567
Created by admin on Sat Dec 16 14:21:06 UTC 2023 , Edited by admin on Sat Dec 16 14:21:06 UTC 2023
PRIMARY
FDA UNII
371WIC7F7U
Created by admin on Sat Dec 16 14:21:06 UTC 2023 , Edited by admin on Sat Dec 16 14:21:06 UTC 2023
PRIMARY