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Details

Stereochemistry ACHIRAL
Molecular Formula C16H19F17N2O5S2
Molecular Weight 706.435
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-((3-(DIMETHYLAMINO)PROPYL)((HEPTADECAFLUOROOCTYL)SULPHONYL)AMINO)PROPANESULPHONIC ACID

SMILES

CN(C)CCCN(CCCS(O)(=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=UUBYZMXGONPVTR-UHFFFAOYSA-N
InChI=1S/C16H19F17N2O5S2/c1-34(2)5-3-6-35(7-4-8-41(36,37)38)42(39,40)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/h3-8H2,1-2H3,(H,36,37,38)

HIDE SMILES / InChI

Molecular Formula C16H19F17N2O5S2
Molecular Weight 706.435
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 13:25:00 GMT 2023
Edited
by admin
on Sat Dec 16 13:25:00 GMT 2023
Record UNII
G5T3L6XFK4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-((3-(DIMETHYLAMINO)PROPYL)((HEPTADECAFLUOROOCTYL)SULPHONYL)AMINO)PROPANESULPHONIC ACID
Systematic Name English
1-PROPANESULFONIC ACID, 3-((3-(DIMETHYLAMINO)PROPYL)((HEPTADECAFLUOROOCTYL)SULFONYL)AMINO)-
Systematic Name English
1-PROPANESULFONIC ACID, 3-((3-(DIMETHYLAMINO)PROPYL)((1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-HEPTADECAFLUOROOCTYL)SULFONYL)AMINO)-
Systematic Name English
3-((3-(DIMETHYLAMINO)PROPYL)((1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-HEPTADECAFLUOROOCTYL)SULFONYL)AMINO)-1-PROPANESULFONIC ACID
Systematic Name English
Code System Code Type Description
CAS
72785-08-1
Created by admin on Sat Dec 16 13:25:00 GMT 2023 , Edited by admin on Sat Dec 16 13:25:00 GMT 2023
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FDA UNII
G5T3L6XFK4
Created by admin on Sat Dec 16 13:25:00 GMT 2023 , Edited by admin on Sat Dec 16 13:25:00 GMT 2023
PRIMARY
PUBCHEM
175152
Created by admin on Sat Dec 16 13:25:00 GMT 2023 , Edited by admin on Sat Dec 16 13:25:00 GMT 2023
PRIMARY
EPA CompTox
DTXSID2072594
Created by admin on Sat Dec 16 13:25:00 GMT 2023 , Edited by admin on Sat Dec 16 13:25:00 GMT 2023
PRIMARY
ECHA (EC/EINECS)
276-830-4
Created by admin on Sat Dec 16 13:25:00 GMT 2023 , Edited by admin on Sat Dec 16 13:25:00 GMT 2023
PRIMARY