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Details

Stereochemistry ACHIRAL
Molecular Formula C15H19F13N2O4S
Molecular Weight 570.367
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-(CARBOXYMETHYL)-N,N-DIMETHYL-3-(((3,3,4,4,5,5,6,6,7,7,8,8,8-TRIDECAFLUOROOCTYL)SULFONYL)AMINO)1-PROPANAMINIUM

SMILES

C[N+](C)(CCCNS(=O)(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CC([O-])=O

InChI

InChIKey=OKOCIUJVPQKDLL-UHFFFAOYSA-N
InChI=1S/C15H19F13N2O4S/c1-30(2,8-9(31)32)6-3-5-29-35(33,34)7-4-10(16,17)11(18,19)12(20,21)13(22,23)14(24,25)15(26,27)28/h29H,3-8H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C15H19F13N2O4S
Molecular Weight 570.367
Charge 0
Count
Stereochemistry RACEMIC
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 08:01:07 GMT 2023
Edited
by admin
on Sat Dec 16 08:01:07 GMT 2023
Record UNII
K7YO4672FB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-(CARBOXYMETHYL)-N,N-DIMETHYL-3-(((3,3,4,4,5,5,6,6,7,7,8,8,8-TRIDECAFLUOROOCTYL)SULFONYL)AMINO)1-PROPANAMINIUM
Systematic Name English
1-PROPANAMINIUM, N-(CARBOXYMETHYL)-N,N-DIMETHYL-3-(((3,3,4,4,5,5,6,6,7,7,8,8,8-TRIDECAFLUOROOCTYL)SULFONYL)AMINO)-, INNER SALT
Common Name English
1-PROPANAMINIUM, N-(CARBOXYMETHYL)-N,N-DIMETHYL-3-(((3,3,4,4,5,5,6,6,7,7,8,8,8-TRIDECAFLUOROOCTYL)SULFONYL)AMINO)-, HYDROXIDE, INNER SALT
Systematic Name English
N-(CARBOXYMETHYL)-N,N-DIMETHYL-3-((((PERFLUOROHEXYL)ETHYL)SULFONYL)AMINO)-, HYDROXIDE, INNER SALT
Systematic Name English
N-(CARBOXYMETHYL)-N,N-DIMETHYL-3-(((3,3,4,4,5,5,6,6,7,7,8,8,8-TRIDECAFLUOROOCTYL)SULFONYL)AMINO)1-PROPANAMINIUM , INNER SALT
Common Name English
Code System Code Type Description
CAS
34455-29-3
Created by admin on Sat Dec 16 08:01:07 GMT 2023 , Edited by admin on Sat Dec 16 08:01:07 GMT 2023
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FDA UNII
K7YO4672FB
Created by admin on Sat Dec 16 08:01:07 GMT 2023 , Edited by admin on Sat Dec 16 08:01:07 GMT 2023
PRIMARY
PUBCHEM
118691
Created by admin on Sat Dec 16 08:01:07 GMT 2023 , Edited by admin on Sat Dec 16 08:01:07 GMT 2023
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ECHA (EC/EINECS)
252-046-8
Created by admin on Sat Dec 16 08:01:07 GMT 2023 , Edited by admin on Sat Dec 16 08:01:07 GMT 2023
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EPA CompTox
DTXSID4041284
Created by admin on Sat Dec 16 08:01:07 GMT 2023 , Edited by admin on Sat Dec 16 08:01:07 GMT 2023
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