[1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 3,4-bis(fluoranyl)benzoate

Systemtic Name: [1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 3,4-bis(fluoranyl)benzoate Openeye Name: [2-(1-adamantyl)-1-methyl-2-oxo-ethyl] 3,4-difluorobenzoate CAS Name: 3,4-difluorobenzoic acid [1-(1-adamantyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1-adamantyl)-1-oxopropan-2-yl] 3,4-difluorobenzoate Traditional Name: 3,4-difluorobenzoic acid [2-(1-adamantyl)-2-keto-1-methyl-ethyl] ester Formula: C20H22F2O3 MolecularWeight: 348.383686

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C12CC3CC(C1)CC(C3)C2)OC(=O)C4=CC(=C(C=C4)F)F

Isomeric SMILES

CC(C(=O)C12CC3CC(C1)CC(C3)C2)OC(=O)C4=CC(=C(C=C4)F)F

InChI

InChI=1S/C20H22F2O3/c1-11(25-19(24)15-2-3-16(21)17(22)7-15)18(23)20-8-12-4-13(9-20)6-14(5-12)10-20/h2-3,7,11-14H,4-6,8-10H2,1H3