Molecule ID: 23065692

IUPAC Name: dialuminum;trisulfate;hexadecahydrate

Description: The molecule is a hydrate resulting from the the formal combination of anhydrous aluminium sulfate with approximately 16 mol eq. of water. It is one of the commonest hydrates of aluminium sulfate. It is an aluminium sulfate and a hydrate.

SMILES: O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Al+3].[Al+3]

SELFIES: [O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O][=S][=Branch1][C][=O][Branch1][C][O-1][O-1].[O][=S][=Branch1][C][=O][Branch1][C][O-1][O-1].[O][=S][=Branch1][C][=O][Branch1][C][O-1][O-1].[Al+3].[Al+3]

InChI: InChI=1S/2Al.3H2O4S.16H2O/c;;3*1-5(2,3)4;;;;;;;;;;;;;;;;/h;;3*(H2,1,2,3,4);16*1H2/q2*+3;;;;;;;;;;;;;;;;;;;/p-6

Molecular Properties:
- Polar Surface Area: 282.0 Ų
- LogP: nan