disodium N'-(2-phosphonatosulfanylethyl)propane-1,3-diamine trihydrate

Systemtic Name: disodium N'-(2-phosphonatosulfanylethyl)propane-1,3-diamine trihydrate Openeye Name: disodium N'-(2-phosphonatosulfanylethyl)propane-1,3-diamine trihydrate CAS Name: disodium N'-[2-(phosphonatothio)ethyl]propane-1,3-diamine trihydrate IUPAC Name: disodium N'-(2-phosphonatosulfanylethyl)propane-1,3-diamine trihydrate Traditional Name: disodium 3-aminopropyl-[2-(phosphonatothio)ethyl]amine trihydrate Formula: C5H19N2Na2O6PS MolecularWeight: 312.232461

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Descriptors Computed from Structure

Canonical SMILES:

C(CN)CNCCSP(=O)([O-])[O-].O.O.O.[Na+].[Na+]

Isomeric SMILES

C(CN)CNCCSP(=O)([O-])[O-].O.O.O.[Na+].[Na+]

InChI

InChI=1S/C5H15N2O3PS.2Na.3H2O/c6-2-1-3-7-4-5-12-11(8,9)10;;;;;/h7H,1-6H2,(H2,8,9,10);;;3*1H2/q;2*+1;;;/p-2