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Reference substances

Currently viewing:
IUPAC name:
[ethylenebis[nitrilobis(methylene)]]tetrakisphosphonic acid, calcium sodium salt

Inventory

EC number:
287-370-9
EC name:
[ethylenebis[nitrilobis(methylene)]]tetrakisphosphonic acid, calcium sodium salt
CAS number:
85480-89-3
CAS number:
85480-89-3
Synonyms
Names:
P,P',P'',P'''-[1,2-ethanediylbis[nitrilobis(methylene)]]tetrakis-, calcium sodium salt (1:?:?)
Identifier:
IUPAC name
Calcium sodium hydrogen {[{2-[bis(phosphonomethyl)amino]ethyl}(phosphonomethyl)amino]methyl}phosphonate
Identifier:
IUPAC name
[et[ethylenebis[nitrilobis(methylene)]]tetrakisphosphonic acid, calcium sodium salt
Identifier:
other: Molecular formula
C6H20N2O12P4.yNa.xCa
Identifier:
other: Molecular formula
C6H20N2O12P4xNayCa
Identifier:
other: InChl
InChI=1/C6H20N2O12P4.2Ca.3Na/c9-21(10,11)3-7(4-22(12,13)14)1-2-8(5-23(15,16)17)6-24(18,19)20;;;;;/h1-6H2,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20);;;;;/q;2*+2;3*+1/p-7
Identifier:
other: SMILES notation
[Ca+2].[Ca+2].[Na+].[Na+].[Na+].[O-]P(=O)(O)CN(CP(=O)([O-])[O-])CCN(CP([O-])([O-])=O)CP([O-])([O-])=O
x calcium y sodium {ethane-1,2-diylbis[nitrilobis(methylene)]}tetrakis(phosphonate)

Molecular and structural information

Molecular formula:
C6H20-2x-yN2O12P4.xCa.yNa
Molecular weight:
>= 476 - <= 597
SMILES notation:
C(CN(CP(=O)(O)O)CP(=O)(O)O)N(CP(=O)(O)O)CP(=O)(O)O.[NaH].[CaH2]
InChl:
InChI=1S/C6H20N2O12P4.Ca.Na.3H/c9-21(10,11)3-7(4-22(12,13)14)1-2-8(5-23(15,16)17)6-24(18,19)20;;;;;/h1-6H2,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20);;;;;
Structural formula:
Chemical structure

Related substances

Identifier:
CAS number
Identity:
138314-12-2

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