[2-(1-adamantylamino)-1-phosphono-ethyl]phosphonic acid

Systemtic Name: [2-(1-adamantylamino)-1-phosphono-ethyl]phosphonic acid Openeye Name: [2-(1-adamantylamino)-1-phosphono-ethyl]phosphonic acid CAS Name: [2-(1-adamantylamino)-1-phosphonoethyl]phosphonic acid IUPAC Name: [2-(1-adamantylamino)-1-phosphonoethyl]phosphonic acid Traditional Name: [2-(1-adamantylamino)-1-phosphono-ethyl]phosphonic acid Formula: C12H23NO6P2 MolecularWeight: 339.261642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NCC(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NCC(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C12H23NO6P2/c14-20(15,16)11(21(17,18)19)7-13-12-4-8-1-9(5-12)3-10(2-8)6-12/h8-11,13H,1-7H2,(H2,14,15,16)(H2,17,18,19)