3-[[1-(1-adamantyl)-1-oxidanyl-ethyl]amino]propan-1-ol; propan-2-ol; titanium

Systemtic Name: 3-[[1-(1-adamantyl)-1-oxidanyl-ethyl]amino]propan-1-ol; propan-2-ol; titanium Openeye Name: 3-[[1-(1-adamantyl)-1-hydroxy-ethyl]amino]propan-1-ol; propan-2-ol; titanium CAS Name: 3-[[1-(1-adamantyl)-1-hydroxyethyl]amino]-1-propanol; 2-propanol; titanium IUPAC Name: 3-[[1-(1-adamantyl)-1-hydroxyethyl]amino]propan-1-ol; propan-2-ol; titanium Traditional Name: 3-[[1-(1-adamantyl)-1-hydroxy-ethyl]amino]propan-1-ol; propan-2-ol; titanium Formula: C24H51NO5Ti MolecularWeight: 481.53244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)O.CC(C)O.CC(C)O.CC(C12CC3CC(C1)CC(C3)C2)(NCCCO)O.[Ti]

Isomeric SMILES

CC(C)O.CC(C)O.CC(C)O.CC(C12CC3CC(C1)CC(C3)C2)(NCCCO)O.[Ti]

InChI

InChI=1S/C15H27NO2.3C3H8O.Ti/c1-14(18,16-3-2-4-17)15-8-11-5-12(9-15)7-13(6-11)10-15;3*1-3(2)4;/h11-13,16-18H,2-10H2,1H3;3*3-4H,1-2H3;