disodium N,N',N'-tris(diphenylphosphanylmethyl)-N-(2-phosphonatoethyl)ethane-1,2-diamine

Systemtic Name: disodium N,N',N'-tris(diphenylphosphanylmethyl)-N-(2-phosphonatoethyl)ethane-1,2-diamine Openeye Name: disodium N,N',N'-tris(diphenylphosphanylmethyl)-N-(2-phosphonatoethyl)ethane-1,2-diamine CAS Name: disodium N,N',N'-tris(diphenylphosphinomethyl)-N-(2-phosphonatoethyl)ethane-1,2-diamine IUPAC Name: disodium N,N',N'-tris(diphenylphosphanylmethyl)-N-(2-phosphonatoethyl)ethane-1,2-diamine Traditional Name: disodium bis(diphenylphosphinomethyl)-[2-[diphenylphosphinomethyl(2-phosphonatoethyl)amino]ethyl]amine Formula: C43H44N2Na2O3P4 MolecularWeight: 806.695644

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)P(CN(CCN(CP(C2=CC=CC=C2)C3=CC=CC=C3)CP(C4=CC=CC=C4)C5=CC=CC=C5)CCP(=O)([O-])[O-])C6=CC=CC=C6.[Na+].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)P(CN(CCN(CP(C2=CC=CC=C2)C3=CC=CC=C3)CP(C4=CC=CC=C4)C5=CC=CC=C5)CCP(=O)([O-])[O-])C6=CC=CC=C6.[Na+].[Na+]

InChI

InChI=1S/C43H46N2O3P4.2Na/c46-52(47,48)34-33-44(35-49(38-19-7-1-8-20-38)39-21-9-2-10-22-39)31-32-45(36-50(40-23-11-3-12-24-40)41-25-13-4-14-26-41)37-51(42-27-15-5-16-28-42)43-29-17-6-18-30-43;;/h1-30H,31-37H2,(H2,46,47,48);;/q;2*+1/p-2