3-(3-azanylpropylamino)propylsulfanylphosphonic acid dihydrate

Systemtic Name: 3-(3-azanylpropylamino)propylsulfanylphosphonic acid dihydrate Openeye Name: 3-(3-aminopropylamino)propylsulfanylphosphonic acid dihydrate CAS Name: [3-(3-aminopropylamino)propylthio]phosphonic acid dihydrate IUPAC Name: 3-(3-aminopropylamino)propylsulfanylphosphonic acid dihydrate Traditional Name: [3-(3-aminopropylamino)propylthio]phosphonic acid dihydrate Formula: C6H21N2O5PS MolecularWeight: 264.280101

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Descriptors Computed from Structure

Canonical SMILES:

C(CN)CNCCCSP(=O)(O)O.O.O

Isomeric SMILES

C(CN)CNCCCSP(=O)(O)O.O.O

InChI

InChI=1S/C6H17N2O3PS.2H2O/c7-3-1-4-8-5-2-6-13-12(9,10)11;;/h8H,1-7H2,(H2,9,10,11);2*1H2