3-(3-azanylpropylamino)propylsulfanylphosphonic acid pentahydrate

Systemtic Name: 3-(3-azanylpropylamino)propylsulfanylphosphonic acid pentahydrate Openeye Name: 3-(3-aminopropylamino)propylsulfanylphosphonic acid pentahydrate CAS Name: [3-(3-aminopropylamino)propylthio]phosphonic acid pentahydrate IUPAC Name: 3-(3-aminopropylamino)propylsulfanylphosphonic acid pentahydrate Traditional Name: [3-(3-aminopropylamino)propylthio]phosphonic acid pentahydrate Formula: C12H44N4O11P2S2 MolecularWeight: 546.575482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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