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Details

Stereochemistry RACEMIC
Molecular Formula C22H44O6S
Molecular Weight 436.646
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BUTYL 9-(SULFOOXY)STEARATE

SMILES

CCCCCCCCCC(CCCCCCCC(=O)OCCCC)OS(O)(=O)=O

InChI

InChIKey=AVTJBWDHTDGIIG-UHFFFAOYSA-N
InChI=1S/C22H44O6S/c1-3-5-7-8-9-11-14-17-21(28-29(24,25)26)18-15-12-10-13-16-19-22(23)27-20-6-4-2/h21H,3-20H2,1-2H3,(H,24,25,26)

HIDE SMILES / InChI

Molecular Formula C22H44O6S
Molecular Weight 436.646
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:21:58 GMT 2023
Edited
by admin
on Sat Dec 16 08:21:58 GMT 2023
Record UNII
O38Y433Y05
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BUTYL 9-(SULFOOXY)STEARATE
Systematic Name English
1-BUTYL 9-(SULPHONATOOXY)OCTADECANOATE
Systematic Name English
OCTADECANOIC ACID, 9-HYDROXY-, BUTYL ESTER, HYDROGEN SULFATE
Systematic Name English
OCTADECANOIC ACID, 9-(SULFOOXY)-, 1-BUTYL ESTER
Systematic Name English
Code System Code Type Description
CAS
122-53-2
Created by admin on Sat Dec 16 08:21:58 GMT 2023 , Edited by admin on Sat Dec 16 08:21:58 GMT 2023
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FDA UNII
O38Y433Y05
Created by admin on Sat Dec 16 08:21:58 GMT 2023 , Edited by admin on Sat Dec 16 08:21:58 GMT 2023
PRIMARY
PUBCHEM
85719
Created by admin on Sat Dec 16 08:21:58 GMT 2023 , Edited by admin on Sat Dec 16 08:21:58 GMT 2023
PRIMARY
ECHA (EC/EINECS)
204-553-0
Created by admin on Sat Dec 16 08:21:58 GMT 2023 , Edited by admin on Sat Dec 16 08:21:58 GMT 2023
PRIMARY
EPA CompTox
DTXSID70881060
Created by admin on Sat Dec 16 08:21:58 GMT 2023 , Edited by admin on Sat Dec 16 08:21:58 GMT 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT