2-adamantyl 2,3,4-tris(fluoranyl)benzoate

Systemtic Name: 2-adamantyl 2,3,4-tris(fluoranyl)benzoate Openeye Name: 2-adamantyl 2,3,4-trifluorobenzoate CAS Name: 2,3,4-trifluorobenzoic acid 2-adamantyl ester IUPAC Name: 2-adamantyl 2,3,4-trifluorobenzoate Traditional Name: 2,3,4-trifluorobenzoic acid 2-adamantyl ester Formula: C17H17F3O2 MolecularWeight: 310.31089

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3OC(=O)C4=C(C(=C(C=C4)F)F)F

Isomeric SMILES

C1C2CC3CC1CC(C2)C3OC(=O)C4=C(C(=C(C=C4)F)F)F

InChI

InChI=1S/C17H17F3O2/c18-13-2-1-12(14(19)15(13)20)17(21)22-16-10-4-8-3-9(6-10)7-11(16)5-8/h1-2,8-11,16H,3-7H2