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Details

Stereochemistry ACHIRAL
Molecular Formula C8H18O4S.C6H15NO3
Molecular Weight 359.481
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TRIETHANOLAMINE OCTYL SULFATE

SMILES

CCCCCCCCOS(=O)(=O)O.C(CO)N(CCO)CCO

InChI

InChIKey=JKLVJVFMOYDRNL-UHFFFAOYSA-N
InChI=1S/C8H18O4S.C6H15NO3/c1-2-3-4-5-6-7-8-12-13(9,10)11;8-4-1-7(2-5-9)3-6-10/h2-8H2,1H3,(H,9,10,11);8-10H,1-6H2

HIDE SMILES / InChI

Molecular Formula C8H18O4S
Molecular Weight 210.2925
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C6H15NO3
Molecular Weight 149.1884
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 Jun 26 10:22:56 UTC 2021
Edited
by admin
on Sat Jun 26 10:22:56 UTC 2021
Record UNII
17L265044E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TRIETHANOLAMINE OCTYL SULFATE
Systematic Name English
ETHANOL, 2,2',2''-NITRILOTRIS-, OCTYL SULFATE (SALT)
Common Name English
TRIS(2-HYDROXYETHYL)AMMONIUM OCTYL SULPHATE
Systematic Name English
SULFURIC ACID, MONOOCTYL ESTER, COMPD. WITH 2,2',2''-NITRILOTRIS(ETHANOL) (1:1)
Common Name English
SULFURIC ACID, MONOOCTYL ESTER, COMPD. WITH 2,2',2''-NITRILOTRIETHANOL (1:1)
Common Name English
TRIETHANOLAMMONIUM OCTYL SULFATE
Common Name English
Code System Code Type Description
FDA UNII
17L265044E
Created by admin on Sat Jun 26 10:22:57 UTC 2021 , Edited by admin on Sat Jun 26 10:22:57 UTC 2021
PRIMARY
PUBCHEM
169208
Created by admin on Sat Jun 26 10:22:57 UTC 2021 , Edited by admin on Sat Jun 26 10:22:57 UTC 2021
PRIMARY
ECHA (EC/EINECS)
250-364-1
Created by admin on Sat Jun 26 10:22:57 UTC 2021 , Edited by admin on Sat Jun 26 10:22:57 UTC 2021
PRIMARY
CAS
30862-34-1
Created by admin on Sat Jun 26 10:22:57 UTC 2021 , Edited by admin on Sat Jun 26 10:22:57 UTC 2021
PRIMARY
EPA CompTox
30862-34-1
Created by admin on Sat Jun 26 10:22:57 UTC 2021 , Edited by admin on Sat Jun 26 10:22:57 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE