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

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


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