2-[4-(methylamino)butylamino]ethylsulfanylphosphonic acid tetrahydrate

Systemtic Name: 2-[4-(methylamino)butylamino]ethylsulfanylphosphonic acid tetrahydrate Openeye Name: 2-[4-(methylamino)butylamino]ethylsulfanylphosphonic acid tetrahydrate CAS Name: [2-[4-(methylamino)butylamino]ethylthio]phosphonic acid tetrahydrate IUPAC Name: 2-[4-(methylamino)butylamino]ethylsulfanylphosphonic acid tetrahydrate Traditional Name: [2-[4-(methylamino)butylamino]ethylthio]phosphonic acid tetrahydrate Formula: C7H27N2O7PS MolecularWeight: 314.337241

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Descriptors Computed from Structure

Canonical SMILES:

CNCCCCNCCSP(=O)(O)O.O.O.O.O

Isomeric SMILES

CNCCCCNCCSP(=O)(O)O.O.O.O.O

InChI

InChI=1S/C7H19N2O3PS.4H2O/c1-8-4-2-3-5-9-6-7-14-13(10,11)12;;;;/h8-9H,2-7H2,1H3,(H2,10,11,12);4*1H2