2-(3-azanylpropylamino)ethylsulfanylphosphonic acid dihydrate

Systemtic Name: 2-(3-azanylpropylamino)ethylsulfanylphosphonic acid dihydrate Openeye Name: 2-(3-aminopropylamino)ethylsulfanylphosphonic acid dihydrate CAS Name: [2-(3-aminopropylamino)ethylthio]phosphonic acid dihydrate IUPAC Name: 2-(3-aminopropylamino)ethylsulfanylphosphonic acid dihydrate Traditional Name: [2-(3-aminopropylamino)ethylthio]phosphonic acid dihydrate Formula: C5H19N2O5PS MolecularWeight: 250.253521

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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