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

Systemtic Name: 2-[2-(ethylamino)ethylamino]ethylsulfanylphosphonic acid pentahydrate Openeye Name: 2-[2-(ethylamino)ethylamino]ethylsulfanylphosphonic acid pentahydrate CAS Name: [2-[2-(ethylamino)ethylamino]ethylthio]phosphonic acid pentahydrate IUPAC Name: 2-[2-(ethylamino)ethylamino]ethylsulfanylphosphonic acid pentahydrate Traditional Name: [2-[2-(ethylamino)ethylamino]ethylthio]phosphonic acid pentahydrate Formula: C12H44N4O11P2S2 MolecularWeight: 546.575482

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Descriptors Computed from Structure

Canonical SMILES:

CCNCCNCCSP(=O)(O)O.CCNCCNCCSP(=O)(O)O.O.O.O.O.O

Isomeric SMILES

CCNCCNCCSP(=O)(O)O.CCNCCNCCSP(=O)(O)O.O.O.O.O.O

InChI

InChI=1S/2C6H17N2O3PS.5H2O/c2*1-2-7-3-4-8-5-6-13-12(9,10)11;;;;;/h2*7-8H,2-6H2,1H3,(H2,9,10,11);5*1H2