2-[3-(methylamino)propylamino]ethylsulfanylphosphonic acid hydrate

Systemtic Name: 2-[3-(methylamino)propylamino]ethylsulfanylphosphonic acid hydrate Openeye Name: 2-[3-(methylamino)propylamino]ethylsulfanylphosphonic acid hydrate CAS Name: [2-[3-(methylamino)propylamino]ethylthio]phosphonic acid hydrate IUPAC Name: 2-[3-(methylamino)propylamino]ethylsulfanylphosphonic acid hydrate Traditional Name: [2-[3-(methylamino)propylamino]ethylthio]phosphonic acid hydrate Formula: C6H19N2O4PS MolecularWeight: 246.264821

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Descriptors Computed from Structure

Canonical SMILES:

CNCCCNCCSP(=O)(O)O.O

Isomeric SMILES

CNCCCNCCSP(=O)(O)O.O

InChI

InChI=1S/C6H17N2O3PS.H2O/c1-7-3-2-4-8-5-6-13-12(9,10)11;/h7-8H,2-6H2,1H3,(H2,9,10,11);1H2