[3,5-bis(oxidanyl)-1-adamantyl] 2-methyl-2-(trifluoromethyl)butanoate

Systemtic Name: [3,5-bis(oxidanyl)-1-adamantyl] 2-methyl-2-(trifluoromethyl)butanoate Openeye Name: (3,5-dihydroxy-1-adamantyl) 2-methyl-2-(trifluoromethyl)butanoate CAS Name: 2-methyl-2-(trifluoromethyl)butanoic acid (3,5-dihydroxy-1-adamantyl) ester IUPAC Name: (3,5-dihydroxy-1-adamantyl) 2-methyl-2-(trifluoromethyl)butanoate Traditional Name: 2-methyl-2-(trifluoromethyl)butyric acid (3,5-dihydroxy-1-adamantyl) ester Formula: C16H23F3O4 MolecularWeight: 336.34663

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C(=O)OC12CC3CC(C1)(CC(C3)(C2)O)O)C(F)(F)F

Isomeric SMILES

CCC(C)(C(=O)OC12CC3CC(C1)(CC(C3)(C2)O)O)C(F)(F)F

InChI

InChI=1S/C16H23F3O4/c1-3-12(2,16(17,18)19)11(20)23-15-6-10-4-13(21,8-15)7-14(22,5-10)9-15/h10,21-22H,3-9H2,1-2H3