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Details

Stereochemistry MIXED
Molecular Formula C17H36O4S
Molecular Weight 336.53
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-ETHYL-1-(3-ETHYLPENTYL)-1-OCTYL SULFATE

SMILES

CCCCC(CC)CCC(CCC(CC)CC)OS(O)(=O)=O

InChI

InChIKey=MSYSDQBIFATOQW-UHFFFAOYSA-N
InChI=1S/C17H36O4S/c1-5-9-10-16(8-4)12-14-17(21-22(18,19)20)13-11-15(6-2)7-3/h15-17H,5-14H2,1-4H3,(H,18,19,20)

HIDE SMILES / InChI

Molecular Formula C17H36O4S
Molecular Weight 336.53
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:18:23 GMT 2023
Edited
by admin
on Sat Dec 16 11:18:23 GMT 2023
Record UNII
24WR5Z3L9U
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-ETHYL-1-(3-ETHYLPENTYL)-1-OCTYL SULFATE
Systematic Name English
3,9-DIETHYL-6-TRIDECYL HYDROGEN SULFATE
Systematic Name English
6-TRIDECANOL, 3,9-DIETHYL-, HYDROGEN SULFATE
Systematic Name English
6-TRIDECANOL, 3,9-DIETHYL-, 6-(HYDROGEN SULFATE)
Systematic Name English
Code System Code Type Description
PUBCHEM
11348297
Created by admin on Sat Dec 16 11:18:23 GMT 2023 , Edited by admin on Sat Dec 16 11:18:23 GMT 2023
PRIMARY
FDA UNII
24WR5Z3L9U
Created by admin on Sat Dec 16 11:18:23 GMT 2023 , Edited by admin on Sat Dec 16 11:18:23 GMT 2023
PRIMARY
CAS
141-71-9
Created by admin on Sat Dec 16 11:18:23 GMT 2023 , Edited by admin on Sat Dec 16 11:18:23 GMT 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT