2-(3-azanylpropylamino)ethylsulfanylphosphonic acid trihydrate

Systemtic Name: 2-(3-azanylpropylamino)ethylsulfanylphosphonic acid trihydrate Openeye Name: 2-(3-aminopropylamino)ethylsulfanylphosphonic acid trihydrate CAS Name: [2-(3-aminopropylamino)ethylthio]phosphonic acid trihydrate IUPAC Name: 2-(3-aminopropylamino)ethylsulfanylphosphonic acid trihydrate Traditional Name: [2-(3-aminopropylamino)ethylthio]phosphonic acid trihydrate Formula: C5H21N2O6PS MolecularWeight: 268.268801

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Descriptors Computed from Structure

Canonical SMILES:

C(CN)CNCCSP(=O)(O)O.O.O.O

Isomeric SMILES

C(CN)CNCCSP(=O)(O)O.O.O.O

InChI

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