3-azaniumylpropyl(2-phosphonatosulfanylpropyl)azanium trihydrate

Systemtic Name: 3-azaniumylpropyl(2-phosphonatosulfanylpropyl)azanium trihydrate Openeye Name: 3-azaniumylpropyl(2-phosphonatosulfanylpropyl)ammonium trihydrate CAS Name: 3-ammoniopropyl-[2-(phosphonatothio)propyl]ammonium trihydrate IUPAC Name: 3-azaniumylpropyl(2-phosphonatosulfanylpropyl)azanium trihydrate Traditional Name: 3-ammoniopropyl-[2-(phosphonatothio)propyl]ammonium trihydrate Formula: C6H23N2O6PS MolecularWeight: 282.295381

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH2+]CCC[NH3+])SP(=O)([O-])[O-].O.O.O

Isomeric SMILES

CC(C[NH2+]CCC[NH3+])SP(=O)([O-])[O-].O.O.O

InChI

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