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N-[2-[bis(diphosphonatomethyl)amino]ethyl]-N,N',N'-tris(diphosphonatomethyl)ethane-1,2-diamine; 2,2,6,6-tetramethyl-1-oxidanyl-piperidin-1-ium-4-one

Systemtic Name:	N-[2-[bis(diphosphonatomethyl)amino]ethyl]-N,N',N'-tris(diphosphonatomethyl)ethane-1,2-diamine; 2,2,6,6-tetramethyl-1-oxidanyl-piperidin-1-ium-4-one
Openeye Name:	N-[2-[bis(diphosphonatomethyl)amino]ethyl]-N,N',N'-tris(diphosphonatomethyl)ethane-1,2-diamine; 1-hydroxy-2,2,6,6-tetramethyl-piperidin-1-ium-4-one
CAS Name:	N-[2-[bis(diphosphonatomethyl)amino]ethyl]-N,N',N'-tris(diphosphonatomethyl)ethane-1,2-diamine; 1-hydroxy-2,2,6,6-tetramethyl-4-piperidin-1-iumone
IUPAC Name:	N-[2-[bis(diphosphonatomethyl)amino]ethyl]-N,N',N'-tris(diphosphonatomethyl)ethane-1,2-diamine; 1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-one
Traditional Name:	bis[2-[bis(diphosphonatomethyl)amino]ethyl]-(diphosphonatomethyl)amine; 1-hydroxy-2,2,6,6-tetramethyl-piperidin-1-ium-4-one
Formula:	C₅₄H₁₀₃N₈O₄₀P₁₀-15
MolecularWeight:	1814.16283

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)CC([NH+]1O)(C)C)C.CC1(CC(=O)CC([NH+]1O)(C)C)C.CC1(CC(=O)CC([NH+]1O)(C)C)C.CC1(CC(=O)CC([NH+]1O)(C)C)C.CC1(CC(=O)CC([NH+]1O)(C)C)C.C(CN(C(P(=O)([O-])[O-])P(=O)([O-])[O-])C(P(=O)([O-])[O-])P(=O)([O-])[O-])N(CCN(C(P(=O)([O-])[O-])P(=O)([O-])[O-])C(P(=O)([O-])[O-])P(=O)([O-])[O-])C(P(=O)([O-])[O-])P(=O)([O-])[O-]

Isomeric SMILES

InChI

InChI=1S/C9H33N3O30P10.5C9H17NO2/c13-43(14,15)5(44(16,17)18)10(1-3-11(6(45(19,20)21)46(22,23)24)7(47(25,26)27)48(28,29)30)2-4-12(8(49(31,32)33)50(34,35)36)9(51(37,38)39)52(40,41)42;5*1-8(2)5-7(11)6-9(3,4)10(8)12/h5-9H,1-4H2,(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)(H2,25,26,27)(H2,28,29,30)(H2,31,32,33)(H2,34,35,36)(H2,37,38,39)(H2,40,41,42);5*12H,5-6H2,1-4H3/p-15

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