METHYLTRICAPRYLYLAMMONIUM TRIFLATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C25H54N.CF3O3S
Molecular Weight	517.772
Optical Activity	NONE
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of METHYLTRICAPRYLYLAMMONIUM TRIFLATE

Structure Search

SMILES

[O-]S(=O)(=O)C(F)(F)F.CCCCCCCC[N+](C)(CCCCCCCC)CCCCCCCC

InChI

InChIKey=WYNCDLDEWVNKJX-UHFFFAOYSA-M

InChI=1S/C25H54N.CHF3O3S/c1-5-8-11-14-17-20-23-26(4,24-21-18-15-12-9-6-2)25-22-19-16-13-10-7-3;2-1(3,4)8(5,6)7/h5-25H2,1-4H3;(H,5,6,7)/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula	CF3O3S
Molecular Weight	149.069
Charge	-1
Count

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

Molecular Formula	C25H54N
Molecular Weight	368.703
Charge	1
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 `Mon Mar 31 23:05:10 GMT 2025` Edited by `admin` on `Mon Mar 31 23:05:10 GMT 2025`
Record UNII	0LD8B8W58Y
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

METHYLTRICAPRYLYLAMMONIUM TRIFLATE

Systematic Name

English

METHANESULFONIC ACID, TRIFLUORO-, ION(1-), N-METHYL-N,N-DIOCTYL-1-OCTANAMINIUM

Preferred Name

English

1-OCTANAMINIUM, N-METHYL-N,N-DIOCTYL-, SALT WITH TRIFLUOROMETHANESULFONIC ACID (1:1)

Systematic Name

English

METHYLTRIOCTYLAMMONIUM TRIFLUOROMETHANESULFONATE

Systematic Name

English

METHYLTRIOCTYLAMMONIUM TRIFLATE

Systematic Name

English

METHYL(TRIOCTYL)AMMONIUM TRIFLUOROMETHANESULFONATE

Systematic Name

English

1-OCTANAMINIUM, N-METHYL-N,N-DIOCTYL-, TRIFLUOROMETHANESULFONATE (1:1)

Systematic Name

English

METHYLTRI-N-OCTYLAMMONIUM TRIFLUOROMETHANESULFONATE

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID5047904

Created by admin on Mon Mar 31 23:05:10 GMT 2025 , Edited by admin on Mon Mar 31 23:05:10 GMT 2025

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FDA UNII

0LD8B8W58Y

Created by admin on Mon Mar 31 23:05:10 GMT 2025 , Edited by admin on Mon Mar 31 23:05:10 GMT 2025

PRIMARY

CAS

121107-18-4

Created by admin on Mon Mar 31 23:05:10 GMT 2025 , Edited by admin on Mon Mar 31 23:05:10 GMT 2025

PRIMARY

PUBCHEM

22678982

Created by admin on Mon Mar 31 23:05:10 GMT 2025 , Edited by admin on Mon Mar 31 23:05:10 GMT 2025

PRIMARY

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METHYLTRICAPRYLYLAMMONIUM

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