2-[3-(octylamino)propylamino]ethylsulfanylphosphonic acid trihydrate

Systemtic Name: 2-[3-(octylamino)propylamino]ethylsulfanylphosphonic acid trihydrate Openeye Name: 2-[3-(octylamino)propylamino]ethylsulfanylphosphonic acid trihydrate CAS Name: [2-[3-(octylamino)propylamino]ethylthio]phosphonic acid trihydrate IUPAC Name: 2-[3-(octylamino)propylamino]ethylsulfanylphosphonic acid trihydrate Traditional Name: [2-[3-(octylamino)propylamino]ethylthio]phosphonic acid trihydrate Formula: C26H68N4O9P2S2 MolecularWeight: 706.917042

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNCCCNCCSP(=O)(O)O.CCCCCCCCNCCCNCCSP(=O)(O)O.O.O.O

Isomeric SMILES

CCCCCCCCNCCCNCCSP(=O)(O)O.CCCCCCCCNCCCNCCSP(=O)(O)O.O.O.O

InChI

InChI=1S/2C13H31N2O3PS.3H2O/c2*1-2-3-4-5-6-7-9-14-10-8-11-15-12-13-20-19(16,17)18;;;/h2*14-15H,2-13H2,1H3,(H2,16,17,18);3*1H2