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Details

Stereochemistry ACHIRAL
Molecular Formula C16H17F17N2O4S
Molecular Weight 656.355
Optical Activity NONE
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-((CARBOXYMETHYL)((HEPTADECAFLUOROOCTYL)SULPHONYL)AMINO)PROPYLTRIMETHYLAMMONIUM HYDROXIDE

SMILES

C[N+](C)(C)CCCN(CC([O-])=O)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

InChI

InChIKey=HBCIQEOSBTUVDJ-UHFFFAOYSA-N
InChI=1S/C16H17F17N2O4S/c1-35(2,3)6-4-5-34(7-8(36)37)40(38,39)16(32,33)14(27,28)12(23,24)10(19,20)9(17,18)11(21,22)13(25,26)15(29,30)31/h4-7H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C16H17F17N2O4S
Molecular Weight 656.355
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 09:39:56 GMT 2025
Edited
by admin
on Wed Apr 02 09:39:56 GMT 2025
Record UNII
GW7F8GBV80
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-PROPANAMINIUM, 3-((CARBOXYMETHYL)((HEPTADECAFLUOROOCTYL)SULFONYL)AMINO)-N,N,N-TRIMETHYL-, INNER SALT
Preferred Name English
3-((CARBOXYMETHYL)((HEPTADECAFLUOROOCTYL)SULPHONYL)AMINO)PROPYLTRIMETHYLAMMONIUM HYDROXIDE
Systematic Name English
Code System Code Type Description
CAS
68318-36-5
Created by admin on Wed Apr 02 09:39:56 GMT 2025 , Edited by admin on Wed Apr 02 09:39:56 GMT 2025
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EPA CompTox
DTXSID3071430
Created by admin on Wed Apr 02 09:39:56 GMT 2025 , Edited by admin on Wed Apr 02 09:39:56 GMT 2025
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PUBCHEM
110052
Created by admin on Wed Apr 02 09:39:56 GMT 2025 , Edited by admin on Wed Apr 02 09:39:56 GMT 2025
PRIMARY
ECHA (EC/EINECS)
269-760-0
Created by admin on Wed Apr 02 09:39:56 GMT 2025 , Edited by admin on Wed Apr 02 09:39:56 GMT 2025
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FDA UNII
GW7F8GBV80
Created by admin on Wed Apr 02 09:39:56 GMT 2025 , Edited by admin on Wed Apr 02 09:39:56 GMT 2025
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