P-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXYETHOXYETHYL DIMETHYL BENZYL AMMONIUM TETRACHLOROMERCURATE (2-) (2:1)

Details

Stereochemistry	ACHIRAL
Molecular Formula	2C27H42NO2.4Cl.Hg
Molecular Weight	1167.66
Optical Activity	NONE
Defined Stereocenters	0 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of P-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXYETHOXYETHYL DIMETHYL BENZYL AMMONIUM TETRACHLOROMERCURATE (2-) (2:1)

Structure Search

SMILES

[Cl-].[Cl-].[Cl-].[Cl-].[Hg++].CC(C)(C)CC(C)(C)C1=CC=C(OCCOCC[N+](C)(C)CC2=CC=CC=C2)C=C1.CC(C)(C)CC(C)(C)C3=CC=C(OCCOCC[N+](C)(C)CC4=CC=CC=C4)C=C3

InChI

InChIKey=CJMGKPKOOLKGIZ-UHFFFAOYSA-J

InChI=1S/2C27H42NO2.4ClH.Hg/c2*1-26(2,3)22-27(4,5)24-13-15-25(16-14-24)30-20-19-29-18-17-28(6,7)21-23-11-9-8-10-12-23;;;;;/h2*8-16H,17-22H2,1-7H3;4*1H;/q2*+1;;;;;+2/p-4

HIDE SMILES / InChI

Molecular Formula	Hg
Molecular Weight	200.59
Charge	2
Count

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

Molecular Formula	C27H42NO2
Molecular Weight	412.6279
Charge	1
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	ClH
Molecular Weight	36.461
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 `Mon Mar 31 22:50:19 GMT 2025` Edited by `admin` on `Mon Mar 31 22:50:19 GMT 2025`
Record UNII	BQU8F81R2K
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

P-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXYETHOXYETHYL DIMETHYL BENZYL AMMONIUM TETRACHLOROMERCURATE (2-) (2:1)

Common Name

English

BENZENEMETHANAMINIUM, N,N-DIMETHYL-N-(2-(2-(4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY)ETHOXY)ETHYL)-, (T-4)-TETRACHLOROMERCURATE(2-) (2:1)

Preferred Name

English

Code System Code Type Description

EPA CompTox

DTXSID60895858

Created by admin on Mon Mar 31 22:50:19 GMT 2025 , Edited by admin on Mon Mar 31 22:50:19 GMT 2025

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CAS

53433-01-5

Created by admin on Mon Mar 31 22:50:19 GMT 2025 , Edited by admin on Mon Mar 31 22:50:19 GMT 2025

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PUBCHEM

86278192

Created by admin on Mon Mar 31 22:50:19 GMT 2025 , Edited by admin on Mon Mar 31 22:50:19 GMT 2025

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FDA UNII

BQU8F81R2K

Created by admin on Mon Mar 31 22:50:19 GMT 2025 , Edited by admin on Mon Mar 31 22:50:19 GMT 2025

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