2-(3-azanylpropylamino)propylsulfanylphosphonic acid hydrate

Systemtic Name: 2-(3-azanylpropylamino)propylsulfanylphosphonic acid hydrate Openeye Name: 2-(3-aminopropylamino)propylsulfanylphosphonic acid hydrate CAS Name: [2-(3-aminopropylamino)propylthio]phosphonic acid hydrate IUPAC Name: 2-(3-aminopropylamino)propylsulfanylphosphonic acid hydrate Traditional Name: [2-(3-aminopropylamino)propylthio]phosphonic acid hydrate Formula: C6H19N2O4PS MolecularWeight: 246.264821

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSP(=O)(O)O)NCCCN.O

Isomeric SMILES

CC(CSP(=O)(O)O)NCCCN.O

InChI

InChI=1S/C6H17N2O3PS.H2O/c1-6(8-4-2-3-7)5-13-12(9,10)11;/h6,8H,2-5,7H2,1H3,(H2,9,10,11);1H2