2-[2-(octylamino)ethylamino]ethylsulfanylphosphonic acid dihydrate

Systemtic Name: 2-[2-(octylamino)ethylamino]ethylsulfanylphosphonic acid dihydrate Openeye Name: 2-[2-(octylamino)ethylamino]ethylsulfanylphosphonic acid dihydrate CAS Name: [2-[2-(octylamino)ethylamino]ethylthio]phosphonic acid dihydrate IUPAC Name: 2-[2-(octylamino)ethylamino]ethylsulfanylphosphonic acid dihydrate Traditional Name: [2-[2-(octylamino)ethylamino]ethylthio]phosphonic acid dihydrate Formula: C12H33N2O5PS MolecularWeight: 348.439581

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNCCNCCSP(=O)(O)O.O.O

Isomeric SMILES

CCCCCCCCNCCNCCSP(=O)(O)O.O.O

InChI

InChI=1S/C12H29N2O3PS.2H2O/c1-2-3-4-5-6-7-8-13-9-10-14-11-12-19-18(15,16)17;;/h13-14H,2-12H2,1H3,(H2,15,16,17);2*1H2