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Details

Stereochemistry ACHIRAL
Molecular Formula 6Al.3BO3.3Mn.Na.O18Si6.4HO
Molecular Weight 1050.652
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Tsilaisite Tourmaline

SMILES

[OH-].[OH-].[OH-].[OH-].[Na+].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Mn++].[Mn++].[Mn++].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-][Si]1([O-])O[Si]([O-])([O-])O[Si]([O-])([O-])O[Si]([O-])([O-])O[Si]([O-])([O-])O[Si]([O-])([O-])O1

InChI

InChIKey=WAKZIHNFJCBXNE-UHFFFAOYSA-J
InChI=1S/6Al.3BO3.3Mn.Na.O18Si6.4H2O/c;;;;;;3*2-1(3)4;;;;;1-19(2)13-20(3,4)15-22(7,8)17-24(11,12)18-23(9,10)16-21(5,6)14-19;;;;/h;;;;;;;;;;;;;;4*1H2/q6*+3;3*-3;3*+2;+1;-12;;;;/p-4

HIDE SMILES / InChI

Molecular Formula O18Si6
Molecular Weight 456.5022
Charge -12
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula HO
Molecular Weight 17.0073
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula Mn
Molecular Weight 54.938045
Charge 2
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
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 No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula Na
Molecular Weight 22.98976928
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula BO3
Molecular Weight 58.809
Charge -3
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 Wed Apr 02 19:38:18 GMT 2025
Edited
by admin
on Wed Apr 02 19:38:18 GMT 2025
Record UNII
Q4YL9RH6GG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Tsilaisite Tourmaline
Preferred Name English
Code System Code Type Description
FDA UNII
Q4YL9RH6GG
Created by admin on Wed Apr 02 19:38:18 GMT 2025 , Edited by admin on Wed Apr 02 19:38:18 GMT 2025
PRIMARY
CAS
12425-43-3
Created by admin on Wed Apr 02 19:38:18 GMT 2025 , Edited by admin on Wed Apr 02 19:38:18 GMT 2025
PRIMARY
CAS
1317-93-7
Created by admin on Wed Apr 02 19:38:18 GMT 2025 , Edited by admin on Wed Apr 02 19:38:18 GMT 2025
GENERIC (FAMILY)