(4-oxidanylidene-1-adamantyl) 2-fluoranylbenzoate

Systemtic Name: (4-oxidanylidene-1-adamantyl) 2-fluoranylbenzoate Openeye Name: (4-oxo-1-adamantyl) 2-fluorobenzoate CAS Name: 2-fluorobenzoic acid (4-oxo-1-adamantyl) ester IUPAC Name: (4-oxo-1-adamantyl) 2-fluorobenzoate Traditional Name: 2-fluorobenzoic acid (4-keto-1-adamantyl) ester Formula: C17H17FO3 MolecularWeight: 288.313483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC(C2)(CC1C3=O)OC(=O)C4=CC=CC=C4F

Isomeric SMILES

C1C2CC3CC(C2)(CC1C3=O)OC(=O)C4=CC=CC=C4F

InChI

InChI=1S/C17H17FO3/c18-14-4-2-1-3-13(14)16(20)21-17-7-10-5-11(8-17)15(19)12(6-10)9-17/h1-4,10-12H,5-9H2