2-(3-azanylpropylamino)ethylsulfanylphosphonic acid; ethanoic acid

Systemtic Name: 2-(3-azanylpropylamino)ethylsulfanylphosphonic acid; ethanoic acid Openeye Name: acetic acid; 2-(3-aminopropylamino)ethylsulfanylphosphonic acid CAS Name: acetic acid; [2-(3-aminopropylamino)ethylthio]phosphonic acid IUPAC Name: acetic acid; 2-(3-aminopropylamino)ethylsulfanylphosphonic acid Traditional Name: acetic acid; [2-(3-aminopropylamino)ethylthio]phosphonic acid Formula: C7H19N2O5PS MolecularWeight: 274.274921

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.C(CN)CNCCSP(=O)(O)O

Isomeric SMILES

CC(=O)O.C(CN)CNCCSP(=O)(O)O

InChI

InChI=1S/C5H15N2O3PS.C2H4O2/c6-2-1-3-7-4-5-12-11(8,9)10;1-2(3)4/h7H,1-6H2,(H2,8,9,10);1H3,(H,3,4)