2-[2-(1-adamantylmethylamino)ethylamino]ethylsulfanylphosphonic acid hydrate

Systemtic Name: 2-[2-(1-adamantylmethylamino)ethylamino]ethylsulfanylphosphonic acid hydrate Openeye Name: 2-[2-(1-adamantylmethylamino)ethylamino]ethylsulfanylphosphonic acid hydrate CAS Name: [2-[2-(1-adamantylmethylamino)ethylamino]ethylthio]phosphonic acid hydrate IUPAC Name: 2-[2-(1-adamantylmethylamino)ethylamino]ethylsulfanylphosphonic acid hydrate Traditional Name: [2-[2-(1-adamantylmethylamino)ethylamino]ethylthio]phosphonic acid hydrate Formula: C15H31N2O4PS MolecularWeight: 366.456401

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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