2-(5-azanylpentylamino)ethylsulfanylphosphonic acid hydrate

Systemtic Name: 2-(5-azanylpentylamino)ethylsulfanylphosphonic acid hydrate Openeye Name: 2-(5-aminopentylamino)ethylsulfanylphosphonic acid hydrate CAS Name: [2-(5-aminopentylamino)ethylthio]phosphonic acid hydrate IUPAC Name: 2-(5-aminopentylamino)ethylsulfanylphosphonic acid hydrate Traditional Name: [2-(5-aminopentylamino)ethylthio]phosphonic acid hydrate Formula: C7H21N2O4PS MolecularWeight: 260.291401

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Descriptors Computed from Structure

Canonical SMILES:

C(CCN)CCNCCSP(=O)(O)O.O

Isomeric SMILES

C(CCN)CCNCCSP(=O)(O)O.O

InChI

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