Hexadecasodium (ethane-1,2-diylbis(((phosphonatomethyl)imino)ethane-2,1-diyl((phosphonatomethyl)imino)ethane-2,1-diylnitrilobis(methylene)))tetrakisphosphonate
[CAS# 93892-84-3]

Identification

• Name: Hexadecasodium (ethane-1,2-diylbis(((phosphonatomethyl)imino)ethane-2,1-diyl((phosphonatomethyl)imino)ethane-2,1-diylnitrilobis(methylene)))tetrakisphosphonate
• Synonyms: hexadecasodium [ethane-1,2-diylbis[[(phosphonatomethyl)imino]ethane-2,1-diyl[(phosphonatomethyl)imino]ethane-2,1-diylnitrilobis(methylene)]]tetrakisphosphonate; Pentaethylenehexamine-octakis(methylphosphonic acid) hexadecasodium salt solution; Sodium pentaethylenehexamine-octakis(methylphosphonate) hexadecabasic solution
• Molecular Formula: C₁₈H₃₆N₆Na₁₆O₂₄P₈
• Molecular Weight: 1336.13
• CAS Registry Number: 93892-84-3
• EINECS: 299-571-9
• SMILES: [Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]P([O-])(=O)CN(CP(=O)([O-])[O-])CCN(CCN(CCN(CCN(CCN(CP([O-])([O-])=O)CP([O-])([O-])=O)CP([O-])([O-])=O)CP([O-])([O-])=O)CP([O-])([O-])=O)CP([O-])([O-])=O
• InChI: 1S/C18H52N6O24P8.16Na/c25-49(26,27)11-19(3-5-21(13-51(31,32)33)7-9-23(15-53(37,38)39)16-54(40,41)42)1-2-20(12-50(28,29)30)4-6-22(14-52(34,35)36)8-10-24(17-55(43,44)45)18-56(46,47)48;;;;;;;;;;;;;;;;/h1-18H2,(H2,25,26,27)(H2,28,29,30)(H2,31,32,33)(H2,34,35,36)(H2,37,38,39)(H2,40,41,42)(H2,43,44,45)(H2,46,47,48);;;;;;;;;;;;;;;;/q;16*+1/p-16
• InChIKey: IYYWYYBOYJZYOP-UHFFFAOYSA-A