1-(1-adamantyl)-1-(butan-2-ylamino)ethanol; propan-2-ol; titanium

Systemtic Name: 1-(1-adamantyl)-1-(butan-2-ylamino)ethanol; propan-2-ol; titanium Openeye Name: 1-(1-adamantyl)-1-(sec-butylamino)ethanol; propan-2-ol; titanium CAS Name: 1-(1-adamantyl)-1-(butan-2-ylamino)ethanol; 2-propanol; titanium IUPAC Name: 1-(1-adamantyl)-1-(butan-2-ylamino)ethanol; propan-2-ol; titanium Traditional Name: 1-(1-adamantyl)-1-(sec-butylamino)ethanol; propan-2-ol; titanium Formula: C25H53NO4Ti MolecularWeight: 479.55962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H29NO.3C3H8O.Ti/c1-4-11(2)17-15(3,18)16-8-12-5-13(9-16)7-14(6-12)10-16;3*1-3(2)4;/h11-14,17-18H,4-10H2,1-3H3;3*3-4H,1-2H3;