SODIUM 3-((3-(((HEPTADECAFLUOROOCTYL)SULFONYL)AMINO)PROPYL)METHYLAMINO)PROPANESULFONATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C15H16F17N2O5S2.Na
Molecular Weight	714.391
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of SODIUM 3-((3-(((HEPTADECAFLUOROOCTYL)SULFONYL)AMINO)PROPYL)METHYLAMINO)PROPANESULFONATE

Structure Search

SMILES

[Na+].CN(CCCNS(=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)CCCS([O-])(=O)=O

InChI

InChIKey=ZSPDCPUQRAQJLX-UHFFFAOYSA-M

InChI=1S/C15H17F17N2O5S2.Na/c1-34(6-3-7-40(35,36)37)5-2-4-33-41(38,39)15(31,32)13(26,27)11(22,23)9(18,19)8(16,17)10(20,21)12(24,25)14(28,29)30;/h33H,2-7H2,1H3,(H,35,36,37);/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula	Na
Molecular Weight	22.9898
Charge	1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C15H16F17N2O5S2
Molecular Weight	691.401
Charge	-1
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 11:49:09 GMT 2023` Edited by `admin` on `Sat Dec 16 11:49:09 GMT 2023`
Record UNII	DWB733X1D8
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SODIUM 3-((3-(((HEPTADECAFLUOROOCTYL)SULFONYL)AMINO)PROPYL)METHYLAMINO)PROPANESULFONATE

Systematic Name

English

1-PROPANESULFONIC ACID, 3-((3-(((HEPTADECAFLUOROOCTYL)SULFONYL)AMINO)PROPYL)METHYLAMINO)-, MONOSODIUM SALT

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID80234927