methyl 3-(1-adamantyl)-4-(trifluoromethylsulfonyloxy)benzoate

Systemtic Name: methyl 3-(1-adamantyl)-4-(trifluoromethylsulfonyloxy)benzoate Openeye Name: methyl 3-(1-adamantyl)-4-(trifluoromethylsulfonyloxy)benzoate CAS Name: 3-(1-adamantyl)-4-(trifluoromethylsulfonyloxy)benzoic acid methyl ester IUPAC Name: methyl 3-(1-adamantyl)-4-(trifluoromethylsulfonyloxy)benzoate Traditional Name: 3-(1-adamantyl)-4-triflyloxy-benzoic acid methyl ester Formula: C19H21F3O5S MolecularWeight: 418.42725

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)OS(=O)(=O)C(F)(F)F)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)OS(=O)(=O)C(F)(F)F)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C19H21F3O5S/c1-26-17(23)14-2-3-16(27-28(24,25)19(20,21)22)15(7-14)18-8-11-4-12(9-18)6-13(5-11)10-18/h2-3,7,11-13H,4-6,8-10H2,1H3