The Bis(4-(tert-butyl)benzoato-O)hydroxyaluminium with cas registry number of 13170-05-3, has the systematic name of [(4-tert-butylbenzoyl)oxy-hydroxy-alumanyl] 4-tert-butylbenzoate. And its IUPAC name is bis[(4-tert-butylbenzoyl)oxy]aluminum hydrate.
Physical properties about this chemical are: (1)#H bond acceptors: 5; (2)#H bond donors: 1; (3)#Freely Rotating Bonds: 9; (4)Polar Surface Area: 72.83 Å2.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)c1ccc(cc1)C(=O)O[Al](O)OC(=O)c2ccc(cc2)C(C)(C)C;
(2)InChI: InChI=1/2C11H14O2.Al.H2O/c2*1-11(2,3)9-6-4-8(5-7-9)10(12)13;;/h2*4-7H,1-3H3,(H,12,13);;1H2/q;;+3;/p-3/rC22H27AlO5/c1-21(2,3)17-11-7-15(8-12-17)19(24)27-23(26)28-20(25)16-9-13-18(14-10-16)22(4,5)6/h7-14,26H,1-6H3;
(3)InChIKey: OYFUVZBROQZLCL-HCILMJPTAI;
(4)Std. InChI: InChI=1S/2C11H14O2.Al.H2O/c2*1-11(2,3)9-6-4-8(5-7-9)10(12)13;;/h2*4-7H,1-3H3,(H,12,13);;1H2/q;;+3;/p-3;
(5)Std. InChIKey: OYFUVZBROQZLCL-UHFFFAOYSA-K
About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia
Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog
©2008 LookChem.com,License: ICP
NO.:Zhejiang16009103
complaints:service@lookchem.com Desktop View