1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

dialuminum;disodium;oxygen(2-);silicon(4+);hydrate

2.1.2 InChI

InChI=1S/2Al.2Na.H2O.12O.4Si/h;;;;1H2;;;;;;;;;;;;;;;;/q2*+3;2*+1;;12*-2;4*+4

2.1.3 InChI Key

ONCZQWJXONKSMM-UHFFFAOYSA-N

2.1.4 Canonical SMILES

O.[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[Na+].[Na+].[Al+3].[Al+3].[Si+4].[Si+4].[Si+4].[Si+4]

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. Bentonite, Sodian

2. 85049-30-5

3. Unii-k1bpi94o04

4. Einecs 285-199-4

5. Q27281818

2.3 Create Date

2014-03-02

3 Chemical and Physical Properties

Molecular Formula	Al₂H₂Na₂O₁₃Si₄
Molecular Weight	422.29 g/mol
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	0
Exact Mass	421.799862 g/mol
Monoisotopic Mass	421.799862 g/mol
Topological Polar Surface Area	13 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	0
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	21

Sodium Bentonite