Phosphonic acid,[[(4-chlorophenyl)thio]methylene]bis-, disodium salt, hydrate (2:1) (9CI) (155453-10-4)

Identification
Name:	Phosphonic acid,[[(4-chlorophenyl)thio]methylene]bis-, disodium salt, hydrate (2:1) (9CI)
Synonyms:	Tiludronatedisodium hemihydrate
CAS:	155453-10-4
Molecular Formula:	C7H9 Cl O6 P2 S . 1/2 H2 O . 2 Na
Molecular Weight:	743.15
InChI:	InChI=1/2C7H9ClO6P2S.4Na.H2O/c28-5-1-3-6(4-2-5)17-7(15(9,10)11)16(12,13)14;;;;;/h21-4,7H,(H2,9,10,11)(H2,12,13,14);;;;;1H2/q;;4*+1;/p-4
Molecular Structure:
Properties
Specification:	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/c28-5-1-3-6(4-2-5)17-7(15(9,10)11)16(12,13)14;;;;;/h21-4,7H,(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/c28-5-1-3-6(4-2-5)17-7(15(9,10)11)16(12,13)14;;;;;/h21-4,7H,(H2,9,10,11)(H2,12,13,14);;;;;1H2/q;;4+1;/p-4 (5)Std. InChIKey:KDVKAYPVWJFARG-UHFFFAOYSA-J
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