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Details

Stereochemistry ACHIRAL
Molecular Formula C14H27NO2S
Molecular Weight 273.435
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (DODECYLSULPHONYL)ACETONITRILE

SMILES

CCCCCCCCCCCCS(=O)(=O)CC#N

InChI

InChIKey=BHYJQQBWODSXQS-UHFFFAOYSA-N
InChI=1S/C14H27NO2S/c1-2-3-4-5-6-7-8-9-10-11-13-18(16,17)14-12-15/h2-11,13-14H2,1H3

HIDE SMILES / InChI

Molecular Formula C14H27NO2S
Molecular Weight 273.435
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 12:25:47 GMT 2023
Edited
by admin
on Sat Dec 16 12:25:47 GMT 2023
Record UNII
75J3UU28GC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(DODECYLSULPHONYL)ACETONITRILE
Systematic Name English
ACETONITRILE, (DODECYLSULFONYL)-
Systematic Name English
2-(DODECYLSULFONYL)ACETONITRILE
Systematic Name English
ACETONITRILE, 2-(DODECYLSULFONYL)-
Systematic Name English
Code System Code Type Description
FDA UNII
75J3UU28GC
Created by admin on Sat Dec 16 12:25:47 GMT 2023 , Edited by admin on Sat Dec 16 12:25:47 GMT 2023
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CAS
52821-30-4
Created by admin on Sat Dec 16 12:25:47 GMT 2023 , Edited by admin on Sat Dec 16 12:25:47 GMT 2023
PRIMARY
ECHA (EC/EINECS)
258-204-2
Created by admin on Sat Dec 16 12:25:47 GMT 2023 , Edited by admin on Sat Dec 16 12:25:47 GMT 2023
PRIMARY
EPA CompTox
DTXSID0068810
Created by admin on Sat Dec 16 12:25:47 GMT 2023 , Edited by admin on Sat Dec 16 12:25:47 GMT 2023
PRIMARY
PUBCHEM
104334
Created by admin on Sat Dec 16 12:25:47 GMT 2023 , Edited by admin on Sat Dec 16 12:25:47 GMT 2023
PRIMARY