2-[2-(methylamino)ethylamino]ethylsulfanylphosphonic acid pentahydrate

Systemtic Name: 2-[2-(methylamino)ethylamino]ethylsulfanylphosphonic acid pentahydrate Openeye Name: 2-[2-(methylamino)ethylamino]ethylsulfanylphosphonic acid pentahydrate CAS Name: [2-[2-(methylamino)ethylamino]ethylthio]phosphonic acid pentahydrate IUPAC Name: 2-[2-(methylamino)ethylamino]ethylsulfanylphosphonic acid pentahydrate Traditional Name: [2-[2-(methylamino)ethylamino]ethylthio]phosphonic acid pentahydrate Formula: C10H40N4O11P2S2 MolecularWeight: 518.522322

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Descriptors Computed from Structure

Canonical SMILES:

CNCCNCCSP(=O)(O)O.CNCCNCCSP(=O)(O)O.O.O.O.O.O

Isomeric SMILES

CNCCNCCSP(=O)(O)O.CNCCNCCSP(=O)(O)O.O.O.O.O.O

InChI

InChI=1S/2C5H15N2O3PS.5H2O/c2*1-6-2-3-7-4-5-12-11(8,9)10;;;;;/h2*6-7H,2-5H2,1H3,(H2,8,9,10);5*1H2