3-azaniumylpropyl(3-phosphonatosulfanylpropyl)azanium dihydrate

Systemtic Name: 3-azaniumylpropyl(3-phosphonatosulfanylpropyl)azanium dihydrate Openeye Name: 3-azaniumylpropyl(3-phosphonatosulfanylpropyl)ammonium dihydrate CAS Name: 3-ammoniopropyl-[3-(phosphonatothio)propyl]ammonium dihydrate IUPAC Name: 3-azaniumylpropyl(3-phosphonatosulfanylpropyl)azanium dihydrate Traditional Name: 3-ammoniopropyl-[3-(phosphonatothio)propyl]ammonium dihydrate Formula: C6H21N2O5PS MolecularWeight: 264.280101

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Descriptors Computed from Structure

Canonical SMILES:

C(C[NH3+])C[NH2+]CCCSP(=O)([O-])[O-].O.O

Isomeric SMILES

C(C[NH3+])C[NH2+]CCCSP(=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