2-[3-(1-adamantylamino)propylamino]ethylsulfanylphosphonic acid dihydrate

Systemtic Name: 2-[3-(1-adamantylamino)propylamino]ethylsulfanylphosphonic acid dihydrate Openeye Name: 2-[3-(1-adamantylamino)propylamino]ethylsulfanylphosphonic acid dihydrate CAS Name: [2-[3-(1-adamantylamino)propylamino]ethylthio]phosphonic acid dihydrate IUPAC Name: 2-[3-(1-adamantylamino)propylamino]ethylsulfanylphosphonic acid dihydrate Traditional Name: [2-[3-(1-adamantylamino)propylamino]ethylthio]phosphonic acid dihydrate Formula: C15H33N2O5PS MolecularWeight: 384.471681

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NCCCNCCSP(=O)(O)O.O.O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NCCCNCCSP(=O)(O)O.O.O

InChI

InChI=1S/C15H29N2O3PS.2H2O/c18-21(19,20)22-5-4-16-2-1-3-17-15-9-12-6-13(10-15)8-14(7-12)11-15;;/h12-14,16-17H,1-11H2,(H2,18,19,20);2*1H2