The systematic name of Tiludronate disodium hemihydrate is Phosphonic acid, [[(4-chlorophenyl)thio]methylene]bis-, sodium salt, hydrate (2:4:1). With the CAS registry number 155453-10-4, it is also named as Disodium (4-chlorophenylthio)methylenediphosphonate hemihydrate. In addition, its molecular formula is C14H16Cl2Na4O13P4S2 and its molecular weight is 743.15.
People can use the following data to convert to the molecule structure.
(1)SMILES:c1cc(ccc1SC(P(=O)(O)[O-])P(=O)(O)[O-])Cl.c1cc(ccc1SC(P(=O)(O)[O-])P(=O)(O)[O-])Cl.O.[Na+].[Na+].[Na+].[Na+]
(2)InChI:InChI=1/2C7H9ClO6P2S.4Na.H2O/c2*8-5-1-3-6(4-2-5)17-7(15(9,10)11)16(12,13)14;;;;;/h2*1-4,7H,(H2,9,10,11)(H2,12,13,14);;;;;1H2/q;;4*+1;/p-4
(3)InChIKey:KDVKAYPVWJFARG-XBHQNQODAD
(4)Std. InChI:InChI=1S/2C7H9ClO6P2S.4Na.H2O/c2*8-5-1-3-6(4-2-5)17-7(15(9,10)11)16(12,13)14;;;;;/h2*1-4,7H,(H2,9,10,11)(H2,12,13,14);;;;;1H2/q;;4*+1;/p-4
(5)Std. InChIKey:KDVKAYPVWJFARG-UHFFFAOYSA-J
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