3-(4-azanylbutylamino)propylsulfanylphosphonic acid dihydrate

Systemtic Name: 3-(4-azanylbutylamino)propylsulfanylphosphonic acid dihydrate Openeye Name: 3-(4-aminobutylamino)propylsulfanylphosphonic acid dihydrate CAS Name: [3-(4-aminobutylamino)propylthio]phosphonic acid dihydrate IUPAC Name: 3-(4-aminobutylamino)propylsulfanylphosphonic acid dihydrate Traditional Name: [3-(4-aminobutylamino)propylthio]phosphonic acid dihydrate Formula: C7H23N2O5PS MolecularWeight: 278.306681

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Descriptors Computed from Structure

Canonical SMILES:

C(CCNCCCSP(=O)(O)O)CN.O.O

Isomeric SMILES

C(CCNCCCSP(=O)(O)O)CN.O.O

InChI

InChI=1S/C7H19N2O3PS.2H2O/c8-4-1-2-5-9-6-3-7-14-13(10,11)12;;/h9H,1-8H2,(H2,10,11,12);2*1H2