2-(1-adamantylamino)ethylsulfanylphosphonic acid hydrate

Systemtic Name: 2-(1-adamantylamino)ethylsulfanylphosphonic acid hydrate Openeye Name: 2-(1-adamantylamino)ethylsulfanylphosphonic acid hydrate CAS Name: [2-(1-adamantylamino)ethylthio]phosphonic acid hydrate IUPAC Name: 2-(1-adamantylamino)ethylsulfanylphosphonic acid hydrate Traditional Name: [2-(1-adamantylamino)ethylthio]phosphonic acid hydrate Formula: C12H24NO4PS MolecularWeight: 309.362021

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H22NO3PS.H2O/c14-17(15,16)18-2-1-13-12-6-9-3-10(7-12)5-11(4-9)8-12;/h9-11,13H,1-8H2,(H2,14,15,16);1H2