Standard English name
Cas No.	96427-12-2
Alias	Lactalfate
Canonical Smiles	[OH-][Al+3]1([OH-][Al+3]([OH-])([OH-])[OH-]1)[O-]S(=O)(=O)OC1C(OS(=O)(=O)[O-][Al+3]2([OH-])[OH-][Al+3]([OH-])([OH-])[OH-]2)C(OS(=O)(=O)[O-][Al+3]2([OH-])[OH-][Al+3]([OH-])([OH-])[OH-]2)C(OC1COS(=O)(=O)[O-][Al+3]1([OH-])[OH-][Al+3]([OH-])([OH-])[OH-]1)OC1C(OS(=O)(=O)[O-][Al+3]2([OH-])[OH-][Al+3]([OH-])([OH-])[OH-]2)C(OS(=O)(=O)[O-][Al+3]2([OH-])[OH-][Al+3]([OH-])([OH-])[OH-]2)C(OC1COS(=O)(=O)[O-][Al+3]1([OH-])[OH-][Al+3]([OH-])([OH-])[OH-]1)OS(=O)(=O)[O-][Al+3]1([OH-])[OH-][Al+3]([OH-])([OH-])[OH-]1
MDL No.
Exact Mass	2,085.52236
Smiles	O=S(=O)(OCC1OC(OS(=O)(=O)[O-][Al+3]2([OH-])[OH-][Al+3]([OH-])([OH-])[OH-]2)C(OS(=O)(=O)[O-][Al+3]3([OH-])[OH-][Al+3]([OH-])([OH-])[OH-]3)C(OS(=O)(=O)[O-][Al+3]4([OH-])[OH-][Al+3]([OH-])([OH-])[OH-]4)C1OC5OC(COS(=O)(=O)[O-][Al+3]6([OH-])[OH-][Al+3]([OH-])([OH-])[OH-]6)C(OS(=O)(=O)[O-][Al+3]7([OH-])[OH-][Al+3]([OH-])([OH-])[OH-]7)C(OS(=O)(=O)[O-][Al+3]8([OH-])[OH-][Al+3]([OH-])([OH-])[OH-]8)C5OS(=O)(=O)[O-][Al+3]9([OH-])[OH-][Al+3]([OH-])([OH-])[OH-]9)[O-][Al+3]%10([OH-])[OH-][Al+3]([OH-])([OH-])[OH-]%10

Character
Storage Condition
Melting Point
Boiling Point
Flash Point
Chemical Stability
Density
Vapor Pressure
GHS
Signal Word
Dangerous Goods
Hazard Category
Hazard Codes
Prevention Guidelines
Hazard Statements
Safety Instructions
Water Solubility
Storage Temp.
Hazardous Decomposition Products
Chirality
Biological Activity
Physicochemical Propertie
Transport Condition
HS Code
UN No.
Feature
Useage
Inchi	InChI=1S/C12H22O35S8.16Al.40H2O/c13-48(14,15)37-1-3-5(7(43-51(22,23)24)10(46-54(31,32)33)12(40-3)47-55(34,35)36)41-11-9(45-53(28,29)30)8(44-52(25,26)27)6(42-50(19,20)21)4(39-11)2-38-49(16,17)18;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h3-12H,1-2H2,(H,13,14,15)(H,16,17,18)(H,19,20,21)(H,22,23,24)(H,25,26,27)(H,28,29,30)(H,31,32,33)(H,34,35,36);;;;;;;;;;;;;;;;;401H2/q;16+3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-48
InchiKey	DNYDAJOVEODZGM-UHFFFAOYSA-A
Remark

Lactalfate