1-adamantylmethyl (Z)-4-oxidanyl-2-(trifluoromethyl)but-2-enoate

Systemtic Name: 1-adamantylmethyl (Z)-4-oxidanyl-2-(trifluoromethyl)but-2-enoate Openeye Name: 1-adamantylmethyl (Z)-4-hydroxy-2-(trifluoromethyl)but-2-enoate CAS Name: (Z)-4-hydroxy-2-(trifluoromethyl)-2-butenoic acid 1-adamantylmethyl ester IUPAC Name: 1-adamantylmethyl (Z)-4-hydroxy-2-(trifluoromethyl)but-2-enoate Traditional Name: (Z)-4-hydroxy-2-(trifluoromethyl)but-2-enoic acid 1-adamantylmethyl ester Formula: C16H21F3O3 MolecularWeight: 318.33135

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)COC(=O)C(=CCO)C(F)(F)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)COC(=O)/C(=C/CO)/C(F)(F)F

InChI

InChI=1S/C16H21F3O3/c17-16(18,19)13(1-2-20)14(21)22-9-15-6-10-3-11(7-15)5-12(4-10)8-15/h1,10-12,20H,2-9H2/b13-1-