QUATERNIUM-90 BENTONITE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C33H70N.2Al.3O.4O2Si.H.H2O
Molecular Weight	842.2373
Optical Activity	NONE
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H-].O.[O--].[O--].[O--].[Al+3].[Al+3].O=[Si]=O.O=[Si]=O.O=[Si]=O.O=[Si]=O.CCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCC

InChI

InChIKey=WWEJJHKVJXCQFH-UHFFFAOYSA-N

InChI=1S/C33H70N.2Al.4O2Si.H2O.3O.H/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-34(3,4)32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;;;4*1-3-2;;;;;/h5-33H2,1-4H3;;;;;;;1H2;;;;/q+1;2*+3;;;;;;3*-2;-1

HIDE SMILES / InChI

Molecular Formula	HO
Molecular Weight	17.0073
Charge	-1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	O2Si
Molecular Weight	60.0843
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	Al
Molecular Weight	26.9815386
Charge	3
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C33H70N
Molecular Weight	480.9156
Charge	1
Count

Stereochemistry	RACEMIC
Additional Stereochemistry
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 11:29:19 GMT 2025` Edited by `admin` on `Wed Apr 02 11:29:19 GMT 2025`
Record UNII	97K5YEF88C
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

QUATERNIUM-90 BENTONITE

Official Name

English

TIXOGEL VP-V

Preferred Name

English

QUATERNARY AMMONIUM COMPOUNDS, DI-C14-18-ALKYLDIMETHYL, SALTS WITH BENTONITE

Common Name

English

Code System Code Type Description

FDA UNII

97K5YEF88C